SCHEMBL7998749

SCHEMBL7998749

Cc1cc(C(C)C)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
NCF1 P14598 4/20 0.56
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EDNRA P25101 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
HTT P42858 1/20 0.44
CYP2C19 P33261 1/20 0.44
GPR3 P46089 1/20 0.44

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
SCHEMBL7224310 0.85 CYP1A2 (0.56) CYP1A2NCF1KDM4EUSP2ALDH1A1
SCHEMBL21316068 0.83 CYP1A2 (0.58) CYP1A2NCF1KDM4EUSP2ALDH1A1
SCHEMBL13991803 0.81 CYP1A2 (0.56) CYP1A2NCF1KDM4EUSP2ALDH1A1
SCHEMBL12390044 0.81 CYP1A2 (0.41) CYP1A2NCF1KDM4EALDH1A1HPGD
SCHEMBL7379490 0.80 CYP1A2 (0.55) CYP1A2NCF1KDM4EUSP2ALDH1A1
SCHEMBL19724363 0.80 NCF1 (0.56) CYP1A2NCF1KDM4EUSP2ALDH1A1
SCHEMBL13684731 0.79 CYP1A2 (0.47) CYP1A2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL1577322 0.79 LMNA (0.50) CYP1A2KDM4EUSP2ALDH1A1MAPT
SCHEMBL10330489 0.79 BACE1 (0.59) CYP1A2NCF1KDM4EALDH1A1MAPT
SCHEMBL1577721 0.79 GABRA1 (0.41) CYP1A2NCF1MAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
CN-115710199-B Photooxidation reduction catalytic process 深圳湾实验室坪山生物医药研发转化中心 2024-06-28 CN disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
CN-115108980-B Preparation method of No. 4 acylated derivative of 2-methylquinoline compound 济南大学 2023-06-16 CN disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
CN-114380741-B Preparation method of 4-position alkylated derivative of 2-methylquinoline compound 济南大学 2023-03-24 CN disclosed
CN-115710199-A Photo-oxidation-reduction catalysis method 深圳湾实验室坪山生物医药研发转化中心 2023-02-24 CN disclosed
CN-113387837-B Photo-oxidation-reduction catalysis method 深圳湾实验室坪山生物医药研发转化中心 2023-02-21 CN disclosed
EP-4115882-A1 COMPOUNDS FOR IMPROVING MRNA SPLICING The General Hospital Corporation (US) 2023-01-11 EP disclosed
CN-115108980-A Preparation method of 4-bit acylated derivative of 2-methylquinoline compound 济南大学 2022-09-27 CN disclosed
US-20130210816-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US disclosed
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
WO-2012018662-A2 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS SCHERING CORPORATION (US) 2012-02-09 WO disclosed
US-20120022097-A1 Compositions and Methods for Treating Cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-01-26 US disclosed
US-20120022097-A1 Compositions and Methods for Treating Cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-01-26 US disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed
WO-2009143178-A2 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2009-11-26 WO 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 (8 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-20130210816-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 CYP1A2 1485/4885NCF1 544/4885KDM4E 3155/4885
US-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 CYP1A2 690/4885NCF1 299/4885KDM4E 4027/4885
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CHEK2, CHEK1, PLK1 CYP1A2 1846/4885NCF1 2817/4885KDM4E 1238/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP1A2 540/4885NCF1 4234/4885KDM4E 2437/4885
US-20120022097-A1 Compositions and Methods for Treating Cancer TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A CYP1A2 945/4885NCF1 2313/4885KDM4E 1359/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 CYP1A2 178/4885NCF1 3876/4885KDM4E 1597/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP1A2 540/4885NCF1 4234/4885KDM4E 2437/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP1A2 4271/4885NCF1 966/4885KDM4E 4019/4885

“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.