SCHEMBL8925757

SCHEMBL8925757

COC(=O)c1ccccc1C(=O)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA5A P35218 1/20 0.58
CA9 Q16790 1/20 0.58
TSHR P16473 2/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CFTR P13569 1/20 0.55
KDM4E B2RXH2 2/20 0.53
POLB P06746 2/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
SLC6A3 Q01959 4/20 0.47
MYC P01106 1/20 0.47
SLC6A4 P31645 2/20 0.46
GLA P06280 1/20 0.46
ELANE P08246 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Dimethyl Phthalate SCHEMBL4913999 0.85 TSHR (0.63) CA1CA2CA5ACA9TSHR
SCHEMBL15445468 0.85 ELANE (0.47) CA1CA2CA5ACA9TSHR
Dimethyl Phthalate SCHEMBL29500970 0.85 TSHR (0.74) CA1CA2CA5ACA9TSHR
Dimethyl Phthalate SCHEMBL34630 0.85 TSHR (0.74) CA1CA2CA5ACA9TSHR
Dimethyl Phthalate SCHEMBL790124 0.85 TSHR (0.74) CA1CA2CA5ACA9TSHR
Dimethyl Phthalate SCHEMBL29669976 0.85 TSHR (0.74) CA1CA2CA5ACA9TSHR
Dimethyl Phthalate SCHEMBL10602130 0.83 TSHR (0.71) CA1CA2CA5ACA9TSHR
Dimethyl Phthalate SCHEMBL28376050 0.83 TSHR (0.71) CA1CA2CA5ACA9TSHR
Dimethyl Phthalate SCHEMBL30278536 0.83 TSHR (0.71) CA1CA2CA5ACA9TSHR
Dimethyl Phthalate SCHEMBL28172663 0.83 TSHR (0.71) CA1CA2CA5ACA9TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322793-A1 10-(di(phenyl)methyl)-4-hydroxy-8,9,9A,10-tetrahydro-7H-pyrrolo[1 ',2':4,5]pyrazino[1,2-B]pyridazine-3,5-dione Derivatives and Related Compounds as Inhibitors of the Orthomyxovirus Replication for Treating Influenza NOVARTIS AG (CH) 2023-10-12 US disclosed
US-20230322793-A1 10-(di(phenyl)methyl)-4-hydroxy-8,9,9A,10-tetrahydro-7H-pyrrolo[1 ',2':4,5]pyrazino[1,2-B]pyridazine-3,5-dione Derivatives and Related Compounds as Inhibitors of the Orthomyxovirus Replication for Treating Influenza NOVARTIS AG (CH) 2023-10-12 US disclosed
US-20200407366-A1 10-(DI(PHENYL)METHYL)-4-HYDROXY-8,9,9A,10-TETRAHYDRO-7H-PYRROLO[1 ',2':4,5]PYRAZINO[1,2-B]PYRIDAZINE-3,5-DIONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE ORTHOMYXOVIRUS REPLICATION FOR TREATING INFLUENZA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC 2020-12-31 US disclosed
US-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-20170327490-A1 PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-16 US disclosed
US-20170327490-A1 PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-16 US disclosed
US-9695163-B2 Thiazole orexin receptor antagonists MERCK SHARP & DOHME CORP (US) 2017-07-04 US disclosed
US-9695163-B2 Thiazole orexin receptor antagonists MERCK SHARP & DOHME CORP (US) 2017-07-04 US disclosed
US-20160185768-A1 THIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-30 US disclosed
US-20130274476-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2013-10-17 US disclosed
US-8501783-B2 Conformationally restricted urea inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-06 US disclosed
US-8501783-B2 Conformationally restricted urea inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-06 US disclosed
US-20130137726-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 US disclosed
US-20130137726-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 US disclosed
US-20120309844-A1 Substituted Diphenylamine Compounds, Preparation Method and Use Thereof SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2012-12-06 US disclosed
US-8188289-B2 Conformationally restricted urea inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-29 US disclosed
US-8188289-B2 Conformationally restricted urea inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-29 US disclosed
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-27 US disclosed
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists HCRTR1, HCRTR2, OXTR CA1 1042/4885CA2 1476/4885CA5A 981/4885
US-20200407366-A1 10-(DI(PHENYL)METHYL)-4-HYDROXY-8,9,9A,10-TETRAHYDRO-7H-PYRROLO[1 ',2':4,5]PYRAZINO[1,2-B]PYRIDAZINE-3,5-DIONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE ORTHOMYXOVIRUS REPLICATION FOR TREATING INFLUENZA MAVS, ZC3HAV1, EIF2AK2 CA1 4814/4885CA2 4297/4885CA5A 1103/4885
US-20120309844-A1 Substituted Diphenylamine Compounds, Preparation Method and Use Thereof DDT, DPM1, CYP3A7 CA1 2852/4885CA2 2464/4885CA5A 573/4885
US-20160185768-A1 THIAZOLE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR CA1 1215/4885CA2 1023/4885CA5A 931/4885
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 CA1 1875/4885CA2 3939/4885CA5A 3501/4885
US-20170327490-A1 PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR CA1 1062/4885CA2 1596/4885CA5A 1347/4885
US-20130274476-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 CA1 1685/4885CA2 3976/4885CA5A 3370/4885
US-20230322793-A1 10-(di(phenyl)methyl)-4-hydroxy-8,9,9A,10-tetrahydro-7H-pyrrolo[1 ',2':4,5]pyrazino[1,2-B]pyridazine-3,5-dione Derivatives and Related Compounds as Inhibitors of the Orthomyxovirus Replication for Treating Influenza MAVS, ZC3HAV1, EIF2AK2 CA1 4814/4885CA2 4297/4885CA5A 1103/4885
US-20130137726-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 CA1 1875/4885CA2 3939/4885CA5A 3501/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.