SCHEMBL792004

SCHEMBL792004

COCc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.52
ATM Q13315 1/20 0.51
AKR1B1 P15121 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PARP10 Q53GL7 1/20 0.46
ACP3 P15309 1/20 0.46
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45

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
Acetic Acid SCHEMBL8578209 0.89 TDP1 (0.56) CYP1A2ATMAKR1B1TDP1MEN1
SCHEMBL11307318 0.86 KDM4E (0.47) CYP1A2CYP2C19CYP2D6ATMAKR1B1
SCHEMBL31012122 0.82 CYP1A2 (0.56) CYP1A2CYP2C19CYP2D6CYP2C9ATM
SCHEMBL4850585 0.82 CYP1A2 (0.56) CYP1A2CYP2C19CYP2D6CYP2C9ATM
SCHEMBL5950220 0.82 MTNR1A (0.46) ATMAKR1B1MEN1KMT2ANPC1
SCHEMBL11314967 0.81 KDM4E (0.52) CYP1A2CYP2C19CYP2C9CNR1CNR2
SCHEMBL29871275 0.81 MTNR1A (0.44) CYP1A2ATMAKR1B1MEN1KMT2A
SCHEMBL20817190 0.81 MTNR1A (0.44) CYP1A2ATMAKR1B1MEN1KMT2A
SCHEMBL327701 0.79 CYP1A2 (0.50) CYP1A2CYP2C19CYP2D6CYP2C9ATM
SCHEMBL791971 0.79 CYP1A2 (0.50) CYP1A2CYP2C19CYP2D6CYP2C9ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120140-A Preparation method of dicyclopentadiene 福建泉昇新材料有限责任公司 2023-05-16 CN claimed
US-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US claimed
EP-1532150-B1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-11 EP claimed
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US claimed
EP-0083312-B1 AQUEOUS BASED FIRE FOAM COMPOSITIONS CONTAINING HYDROCARBYL SULFIDE TERMINATED OLIGOMER STABILIZERS CIBA-GEIGY AG (CH) 1986-03-05 EP claimed
US-12441901-B2 Quantum dot ink composition, and quantum dot electroluminescent device SAMSUNG ELECTRONICS CO., LTD. (KR) 2025-10-14 US disclosed
CN-111954848-B Photosensitive resin composition, cured product, insulating material, resin material for solder resist, and resist member DIC株式会社 2024-05-03 CN disclosed
US-20230287231-A1 QUANTUM DOT INK COMPOSITION, AND QUANTUM DOT ELECTROLUMINESCENT DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-09-14 US disclosed
US-20230257607-A1 QUANTUM DOT INK COMPOSITION, AND QUANTUM DOT ELECTROLUMINESCENT DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-08-17 US disclosed
CN-113820920-B Photosensitive resin composition, method for producing cured relief pattern, and semiconductor device 旭化成株式会社 2023-07-04 CN disclosed
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 WO disclosed
CN-116120140-A Preparation method of dicyclopentadiene 福建泉昇新材料有限责任公司 2023-05-16 CN disclosed
EP-0083312-A1 Aqueous based fire foam compositions containing hydrocarbyl sulfide terminated oligomer stabilizers CIBA-GEIGY AG (CH) 1983-07-06 EP disclosed
US-4354904-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1982-10-19 US disclosed
US-4212711-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1980-07-15 US disclosed
US-4212710-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1980-07-15 US disclosed
EP-0003568-A1 Composition comprising optical brightening agents for use in the whitening of paper coating compositions BAYER AG (DE) 1979-08-22 EP disclosed
US-4148696-A Electrochemical oxidation of activated alkyl aromatic compounds UOP INC. (US) 1979-04-10 US disclosed
US-4060690-A COBALT CONTAINING CATALYST DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1977-11-29 US disclosed
US-3974202-A CARBON MONOXIDE, BENZYL HALIDE AND AN ALCOHOL; COBALT OR IRON CARBONYL CATALYST DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1976-08-10 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 (1 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-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 CYP1A2 718/4885CYP2C19 444/4885CYP2D6 366/4885

“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.