SCHEMBL3542987

SCHEMBL3542987

CC(C)(C)OC(=O)C1C(=O)CCc2cc3ccccc3n21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
NR1H2 P55055 14/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NR1H3 Q13133 4/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL13279458 0.87 CCR9 (0.34) NR1H2MEN1KMT2AMAPK1
SCHEMBL17907950 0.87 MAPK1 (0.33) NOTUMNR1H2BRD4NR1H3MAPK1
SCHEMBL17907924 0.85 NR1H2 (0.35) NR1H2MEN1KMT2ASIGMAR1MAPK1
SCHEMBL17907968 0.85 HDAC1 (0.34) NOTUMNR1H2MAPK1
SCHEMBL17907954 0.84 NR1H2 (0.36) NR1H2SIGMAR1MAPK1
SCHEMBL17907949 0.84 GABRA1 (0.35) MEN1KMT2AMAPK1
SCHEMBL17907981 0.83 KDM4E (0.39) NR1H2
SCHEMBL18229909 0.81 NOTUM (0.46) NOTUMSIGMAR1
SCHEMBL1770176 0.81 KDM4E (0.34) MAPK1
SCHEMBL17907922 0.81 KCNQ3 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-12-13 US disclosed
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-30 US disclosed
US-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 US disclosed
US-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 US disclosed
EP-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 EP disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
EP-3312179-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-25 EP disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 US disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 US disclosed
US-20110112134-A1 Tricyclic Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-7696222-B2 Indole derivatives as CRTH2 receptor antagonists MERCK FROSST CANADA LTD (CA) 2010-04-13 US disclosed
US-7696222-B2 Indole derivatives as CRTH2 receptor antagonists MERCK FROSST CANADA LTD (CA) 2010-04-13 US disclosed
US-7696222-B2 Indole derivatives as CRTH2 receptor antagonists MERCK FROSST CANADA LTD (CA) 2010-04-13 US disclosed
US-20090286825-A1 Indole derivatives as crth2 receptor antagonists MERCK CANADA INC. (CA) 2009-11-19 US disclosed
US-20090286825-A1 Indole derivatives as crth2 receptor antagonists MERCK CANADA INC. (CA) 2009-11-19 US disclosed
US-20090286825-A1 Indole derivatives as crth2 receptor antagonists MERCK CANADA INC. (CA) 2009-11-19 US disclosed
WO-2007019675-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2007-02-22 WO disclosed
US-5721245-A ANTIINFLAMMATORY AGENTS, RESPIRATORY SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-02-24 US disclosed
EP-0384349-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1994-04-27 EP 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 (6 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-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor EGFR, ERBB2, ERBB4 NOTUM 3245/4885NR1H2 2097/4885CA12 4771/4885
US-20090286825-A1 Indole derivatives as crth2 receptor antagonists MC2R, HRH2, PTGDR NOTUM 4041/4885NR1H2 77/4885CA12 2655/4885
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR NR3C2, CRHR2, CRHR1 NOTUM 3876/4885NR1H2 4/4885CA12 2472/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 NOTUM 3644/4885NR1H2 1/4885CA12 3125/4885
US-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 NOTUM 2272/4885NR1H2 1170/4885CA12 4548/4885
US-20110112134-A1 Tricyclic Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 NOTUM 1575/4885NR1H2 124/4885CA12 4380/4885

“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.