SCHEMBL6766

SCHEMBL6766

CCC(C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
AKR1C3 P42330 8/20 0.50
AKR1C2 P52895 8/20 0.50
PTGS1 P23219 2/20 0.50
AKR1C1 Q04828 2/20 0.50
CYP1A2 P05177 1/20 0.46
HTR1A P08908 1/20 0.44
ADRA1A P35348 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FPR2 P25090 2/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1C4 P17516 1/20 0.42

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
SCHEMBL25377657 1.00 KMT2A (0.53) KMT2AAKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL1574429 0.89 AKR1C3 (0.58) AKR1C3AKR1C2PTGS1AKR1C1HTR1A
SCHEMBL9680703 0.88 CYP1A2 (0.48) KMT2ACYP1A2GAALMNAHSD17B10
SCHEMBL6431696 0.85 KMT2A (0.50) KMT2APTGS1CYP1A2ALDH1A1GAA
SCHEMBL6431027 0.85 KMT2A (0.50) KMT2APTGS1CYP1A2ALDH1A1GAA
SCHEMBL10443280 0.85 KMT2A (0.43) KMT2ACYP1A2ALDH1A1LMNAHSD17B10
SCHEMBL9680223 0.82 CYP1A2 (0.44) KMT2ACYP1A2LMNAHSD17B10
SCHEMBL2720268 0.82 ALOX5 (0.47) KMT2ACYP1A2
SCHEMBL27835623 0.82 KMT2A (0.41) KMT2ACYP1A2ALDH1A1LMNAHSD17B10
SCHEMBL27721904 0.82 KMT2A (0.41) KMT2ACYP1A2ALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225500-B2 Synthesis of 1:1:1 co-crystal of 1-cyano-2-(4-cyclopropyl-benzyl)-4-(β-D-glucopyranos-1-yl)-benzene, L-proline and water BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2022-01-18 US claimed
US-20210139520-A1 SYNTHESIS OF 1:1:1 CO-CRYSTAL OF 1-CYANO-2-(4-CYCLOPROPYL-BENZYL)-4-(ß-D-GLUCOPYRANOS-1-YL)-BENZENE, L-PROLINE AND WATER BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2021-05-13 US claimed
EP-3668846-A1 SYNTHESIS OF THE 1 :1 :1 CO-CRYSTAL OF 1 -CYANO-2-(4-CYCLOPROPYL-BENZYL)-4-(BETA-D-GLUCOPYRANOS-1 -YL)-BENZENE, L-PROLINE AND WATER Boehringer Ingelheim Vetmedica GmbH (DE) 2020-06-24 EP claimed
US-20250145561-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 RESEARCH TRIANGLE INSTITUTE (US) 2025-05-08 US disclosed
CN-119823032-A Anticancer compounds 悉尼大学 2025-04-15 CN disclosed
CN-111741944-B Anticancer compounds 悉尼大学 2025-01-03 CN disclosed
EP-4469431-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 Research Triangle Institute (US) 2024-12-04 EP disclosed
US-20240199621-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2024-06-20 US disclosed
US-20240182421-A1 SYNTHESIS OF ENDOCHIN-LIKE QUINOLONES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-06-06 US disclosed
US-20240182419-A1 ANTI-CANCER COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2024-06-06 US disclosed
US-11939296-B2 Anti-cancer compounds THE UNIVERSITY OF SYDNEY (AU) 2024-03-26 US disclosed
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 US disclosed
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
WO-2000035881-A1 QUATERNIZED WATER SOLUBLE VINYLPYRIDINE CARBOXYLATE POLYMERS ISP INVESTMENTS, INC. (US) 2000-06-22 WO disclosed
EP-0838448-A1 Process for the separation of a mixture of enantiomers DSM N.V. (NL) 1998-04-29 EP disclosed
US-5723666-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION ALLERGAN (US) 1998-03-03 US disclosed
EP-0294220-B1 Photopolymerizable composition HITACHI CHEMICAL CO LTD (JP) 1994-05-25 EP disclosed
US-5034429-A An unsaturated monomer, a photoinitiator and a benzene derivative for providing a cured film HITACHI CHEMICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0294220-A2 Photopolymerizable composition Hitachi Chemical Co., Ltd. (JP) 1988-12-07 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 (7 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-11225500-B2 Synthesis of 1:1:1 co-crystal of 1-cyano-2-(4-cyclopropyl-benzyl)-4-(β-D-glucopyranos-1-yl)-benzene, L-proline and water COL1A1, DCXR, PLOD1 KMT2A 4210/4885AKR1C3 637/4885AKR1C2 336/4885
US-20240182421-A1 SYNTHESIS OF ENDOCHIN-LIKE QUINOLONES ENGASE, ESYT2, VPS4B KMT2A 1560/4885AKR1C3 3917/4885AKR1C2 3245/4885
US-20210139520-A1 SYNTHESIS OF 1:1:1 CO-CRYSTAL OF 1-CYANO-2-(4-CYCLOPROPYL-BENZYL)-4-(ß-D-GLUCOPYRANOS-1-YL)-BENZENE, L-PROLINE AND WATER COL1A1, DCXR, PLOD1 KMT2A 4201/4885AKR1C3 627/4885AKR1C2 331/4885
US-11939296-B2 Anti-cancer compounds MKI67, TP53, CDK5 KMT2A 1315/4885AKR1C3 3799/4885AKR1C2 3051/4885
US-20240182419-A1 ANTI-CANCER COMPOUNDS MKI67, TP53, CDK5 KMT2A 1315/4885AKR1C3 3799/4885AKR1C2 3051/4885
US-20250145561-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 GPR88, GPR84, GPR139 KMT2A 823/4885AKR1C3 2169/4885AKR1C2 1416/4885
US-20240199621-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K2, MAP4K5 KMT2A 1775/4885AKR1C3 906/4885AKR1C2 833/4885

“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.