SCHEMBL671822

SCHEMBL671822

O=C(O)C1(c2cccc(Br)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.53
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
AKR1B10 O60218 1/20 0.42
AKR1C4 P17516 1/20 0.42
APP P05067 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 2/20 0.41
HDAC4 P56524 1/20 0.41
TET3 O43151 1/20 0.41
FBXL19 Q6PCT2 1/20 0.41

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
SCHEMBL4502888 0.93 AKR1C1 (0.65) AKR1C1ALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL1492825 0.93 AKR1C1 (0.59) AKR1C1ALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL17632673 0.91 AKR1C1 (0.62) AKR1C1ALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL30967898 0.89 AKR1C1 (0.46) AKR1C1ALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL4501046 0.89 ALDH1A1 (0.48) AKR1C1ALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL11832779 0.89 AKR1C1 (0.46) AKR1C1ALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL14332444 0.89 AKT1 (0.46) AKR1C1ALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL29237470 0.89 AKR1C1 (0.46) AKR1C1ALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL29237574 0.87 AKR1C1 (0.49) AKR1C1ALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL30217007 0.87 AKR1C1 (0.49) AKR1C1ALDH1A1GAASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 US disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 EP disclosed
US-20250353854-A1 FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN BIOMEA FUSION INC (US) 2025-11-20 US disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 EP disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
US-20250206759-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2025-06-26 US disclosed
US-12331023-B2 Substituted heterocyclyl derivatives as CDK inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2025-06-17 US disclosed
US-20250120944-A1 ANTIBACTERIAL COMPOSITION SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2025-04-17 US disclosed
EP-4509507-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND Chengdu Hyperway Pharmaceuticals Co., Ltd. (CN) 2025-02-19 EP disclosed
US-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20060287373-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-12-21 US disclosed
EP-1673336-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-06-28 EP disclosed
WO-2006058868-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-08 WO disclosed
US-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US disclosed
WO-2005019161-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2005-03-03 WO disclosed
EP-1206446-B1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-26 EP disclosed
US-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 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 (10 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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 AKR1C1 678/4885ALDH1A1 2398/4885GAA 2833/4885
US-20250120944-A1 ANTIBACTERIAL COMPOSITION SQSTM1, BECN1, ATG7 AKR1C1 3584/4885ALDH1A1 4336/4885GAA 1483/4885
US-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 AKR1C1 289/4885ALDH1A1 700/4885GAA 1454/4885
US-12331023-B2 Substituted heterocyclyl derivatives as CDK inhibitors CDK19, CDK9, CDK1 AKR1C1 2917/4885ALDH1A1 4813/4885GAA 4005/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK AKR1C1 804/4885ALDH1A1 1520/4885GAA 1257/4885
US-20250206759-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND KRAS, NRAS, HRAS AKR1C1 974/4885ALDH1A1 3098/4885GAA 3430/4885
US-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 AKR1C1 608/4885ALDH1A1 1696/4885GAA 2359/4885
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 AKR1C1 70/4885ALDH1A1 262/4885GAA 502/4885
US-20250353854-A1 FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN MEN1, MLLT1, MSI2 AKR1C1 3940/4885ALDH1A1 4262/4885GAA 4567/4885
US-20060287373-A1 Cathepsin cysteine protease inhibitors CTSE, CTSS, CTSB AKR1C1 1219/4885ALDH1A1 4386/4885GAA 148/4885

“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.