SCHEMBL14445397

SCHEMBL14445397

CCCCCCC(C)(CCCCCC)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX1 P07099 1/20 0.45
CES2 O00748 1/20 0.44
GGPS1 O95749 5/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACAT1 P24752 1/20 0.42
SOAT1 P35610 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
SMPD1 P17405 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
FDPS P14324 7/20 0.41

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
SCHEMBL28723450 1.00 MAPT (0.47) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL28070477 1.00 MAPT (0.47) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL18612495 1.00 MAPT (0.47) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL28978239 1.00 MAPT (0.47) MAPTMEN1KMT2AATML3MBTL1
Ammonia Solution, Strong SCHEMBL11113315 0.98 MAPT (0.46) MAPTMEN1KMT2AATML3MBTL1
Ammonia Solution, Strong SCHEMBL27609080 0.98 MAPT (0.46) MAPTMEN1KMT2AATML3MBTL1
Ammonia Solution, Strong SCHEMBL8741152 0.98 MAPT (0.46) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL21811171 0.98 MAPT (0.46) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL21166222 0.98 MAPT (0.46) MAPTMEN1KMT2AATML3MBTL1
Ammonia Solution, Strong SCHEMBL27038508 0.98 MAPT (0.46) MAPTMEN1KMT2AATML3MBTL1

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 9 patents. 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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 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-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-18 US disclosed
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2017-10-05 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20070178414-A1 Developing solution and method for producing lithography printing plate FUJIFILM CORPORATION (JP) 2007-08-02 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 (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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 MAPT 4640/4885MEN1 4820/4885KMT2A 2002/4885
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 MAPT 1780/4885MEN1 4314/4885KMT2A 1290/4885
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 MAPT 1780/4885MEN1 4314/4885KMT2A 1290/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MAPT 2732/4885MEN1 2118/4885KMT2A 1797/4885
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB MAPT 4584/4885MEN1 1860/4885KMT2A 985/4885
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MAPT 1903/4885MEN1 892/4885KMT2A 2988/4885

“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.