SCHEMBL315486

SCHEMBL315486

COc1[c]cc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
CYP2A6 P11509 3/20 0.45
NQO1 P15559 1/20 0.43
NQO2 P16083 4/20 0.39
CA4 P22748 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
CDK5 Q00535 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
SCHEMBL2253565 0.92 CYP1A2 (0.42) CYP1A2CYP2A6NQO1NQO2CA4
SCHEMBL2253339 0.79 LTA4H (0.39) CYP1A2CYP2A6NQO1MAPTALDH1A1
SCHEMBL10869712 0.78 IRAK4 (0.40) CYP1A2CYP2A6NQO1MAPTALDH1A1
SCHEMBL27493935 0.77 LTA4H (0.44) MAPTALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL15353287 0.76 CYP2A6 (0.42) CYP1A2CYP2A6MAPTHPGDRAB9A
SCHEMBL15353506 0.76 CYP2A6 (0.38) CYP2A6MAPTALDH1A1KDM4EHPGD
SCHEMBL15353315 0.76 CYP1A2 (0.38) CYP1A2CYP2A6NQO2MAPTKDM4E
SCHEMBL15352262 0.76 CYP1A2 (0.42) CYP1A2CYP2A6NQO2MAPT
SCHEMBL8681118 0.76 GPBAR1 (0.43) CYP1A2CYP2A6ALDH1A1KDM4EMAPK1
SCHEMBL2074144 0.75 NQO1 (0.46) NQO1NQO2CA4MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118355122-A Aptamer for personal healthcare applications 宝洁公司 2024-07-16 CN claimed
CN-113924492-B Detection of microbial endotoxin in oral samples using an aptamer 宝洁公司 2024-07-16 CN claimed
CN-118339295-A Aptamer for personal healthcare applications 宝洁公司 2024-07-12 CN claimed
US-20240209375-A1 Aptamers For Personal Health Care Applications PROCTER & GAMBLE (US) 2024-06-27 US claimed
EP-4323517-A2 COMPOSITIONS CONTAINING NUCLEIC ACID NANOPARTICLES AND PROCESSES RELATED TO ALTERATION OF THEIR PHYSICOCHEMICAL CHARACTERISTICS Sixfold Bioscience Ltd. (GB) 2024-02-21 EP claimed
US-11859187-B2 Aptamers for personal health care applications THE PROCTER & GAMBLE COMPANY (US) 2024-01-02 US claimed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US claimed
EP-4263834-A1 APTAMERS FOR PERSONAL HEALTH CARE APPLICATIONS The Procter & Gamble Company (US) 2023-10-25 EP claimed
US-20230287433-A1 APTAMERS FOR PERSONAL HEALTH CARE APPLICATIONS THE PROCTER & GAMBLE COMPANY 2023-09-14 US claimed
US-20230287434-A1 APTAMERS FOR PERSONAL HEALTH CARE APPLICATIONS COMPANY, THE P&G, COMP 2023-09-14 US claimed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO claimed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US claimed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP claimed
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride CURIA GLOBAL, INC. 2006-03-09 US claimed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 WO claimed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 EP claimed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO claimed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 WO claimed
US-6509426-B2 Dichloro(1,1'-dimethylsilylenebis(2-methyl-4-(4-methoxyphenyl) -4H-azulenyl))zirconium, for example; can produce polyolefin with high molecular weight and high melting point for extrusion or injection moldability JAPAN POLYCHEM CORPORATION (JP) 2003-01-21 US claimed
US-4112219-A Acyl derivatives of antibiotic BM123γ AMERICAN CYANAMID COMPANY (US) 1978-09-05 US claimed

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

For each of this compound's patents that has machine-readable text (3 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-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride OPRK1, OPRL1, OPRD1 CYP1A2 196/4885CYP2A6 536/4885NQO1 798/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 CYP1A2 124/4885CYP2A6 131/4885NQO1 717/4885
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC CYP1A2 3659/4885CYP2A6 3306/4885NQO1 2770/4885

“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.