SCHEMBL377782

SCHEMBL377782

O=Cc1ccc(CCBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
CYP2A6 P11509 4/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
ALDH1A1 P00352 6/20 0.40
ALDH1A3 P47895 3/20 0.40
ALDH3A1 P30838 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TYR P14679 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2A13 Q16696 1/20 0.38
RAB9A P51151 1/20 0.37
EGFR P00533 1/20 0.34

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
SCHEMBL3264330 0.86 ALDH1A1 (0.42) TDP1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL5429778 0.85 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL17906175 0.83 THRA (0.44) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL190098 0.80 CYP2A6 (0.46) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL15452989 0.80 ALDH1A1 (0.47) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL2281085 0.79 TDP1 (0.71) TDP1CYP2A6ALDH1A1KMT2AMEN1
SCHEMBL5500231 0.78 TDP1 (0.50) TDP1KMT2AMEN1
SCHEMBL14330452 0.78 CYP2A6 (0.44) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL10490665 0.78 ALDH1A1 (0.46) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL3976211 0.76 CYP2A6 (0.52) TDP1CYP2A6HSD17B10ALDH5A1ABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104230832-A Synthesis method of 4,4',4'',4'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetramethylene tetrabenzaldehyde CHENG FEIXIANG 2014-12-24 CN claimed
CN-103664810-A Process for synthesizing letrozole BANNERBIO NUTRACEUTICALS INC 2014-03-26 CN claimed
CN-103613546-A Chemical synthesizing method of ozagrel UNIV QINGDAO AGRICULTURAL 2014-03-05 CN claimed
US-7022862-B2 Scalable synthesis of dipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2006-04-04 US claimed
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 US claimed
US-5098996-A Fluorination of compounds for use in diagnosis of nuclear medicine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-03-24 US claimed
EP-4716685-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2026-04-01 EP disclosed
US-20260070906-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2026-03-12 US disclosed
CN-119291192-A Kit for detecting content of fentanyl and analogues thereof and application of kit 中国药科大学 2025-01-10 CN disclosed
WO-2024240726-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-11-28 WO disclosed
EP-2408454-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2024-07-24 EP disclosed
CN-112601751-B Fused thiophene compounds 拜欧斯瑞克斯公司 2024-04-02 CN disclosed
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 US disclosed
US-5098996-A Fluorination of compounds for use in diagnosis of nuclear medicine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-03-24 US disclosed
US-5061717-A ANTICHOLESTEROL AGENTS PFIZER INC. (US) 1991-10-29 US disclosed
CN-1053607-A The human immunity that is used for the treatment of AIDS lacks the inhibitor of virus protease MERCK & CO INC (US) 1991-08-07 CN disclosed
WO-1989008650-A1 THIAZOLIDINEDIONE HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1989-09-21 WO disclosed
EP-0332331-A2 Thiazolidinedione hypoglycemic agents PFIZER INC. (US) 1989-09-13 EP disclosed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed
EP-0076996-B1 CARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1986-01-02 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 (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-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 TDP1 2627/4885CYP2A6 480/4885HSD17B10 4292/4885
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process PPOX, DAO, DDO TDP1 925/4885CYP2A6 895/4885HSD17B10 814/4885
US-20260070906-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER TLR1, TLR6, TLR8 TDP1 2181/4885CYP2A6 1747/4885HSD17B10 4509/4885

“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.