SCHEMBL173876

SCHEMBL173876

BrCc1c(Br)cccc1Br

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
TRPA1 O75762 1/20 0.36
TAAR1 Q96RJ0 3/20 0.33
IDO1 P14902 2/20 0.32
PLCG1 P19174 1/20 0.32
AHR P35869 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR2C P28335 4/20 0.31
HTR2B P41595 4/20 0.31
SLC6A2 P23975 2/20 0.30
HTR2A P28223 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 1/20 0.30
NOS1 P29475 2/20 0.30
BACE1 P56817 1/20 0.30
AXL P30530 1/20 0.30

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
SCHEMBL629949 0.84 TAAR1 (0.38) ALDH1A1TSHRTRPA1TAAR1IDO1
SCHEMBL29466647 0.84 TAAR1 (0.38) ALDH1A1TSHRTRPA1TAAR1IDO1
SCHEMBL6217138 0.82 ALDH1A1 (0.50) ALDH1A1TSHRTRPA1TAAR1GABRA1
SCHEMBL4243083 0.82 EED (0.41) ALDH1A1TSHRTAAR1
SCHEMBL29386736 0.82 EED (0.41) ALDH1A1TSHRTAAR1
SCHEMBL695878 0.82 TAAR1 (0.43) ALDH1A1TSHRTAAR1
SCHEMBL12971446 0.82 AHR (0.31) AHR
SCHEMBL29649325 0.82 TAAR1 (0.43) ALDH1A1TSHRTAAR1
SCHEMBL14253791 0.82 CYP3A4 (0.36) ALDH1A1TSHRTAAR1IDO1HTR2C
SCHEMBL12391372 0.80 TRPA1 (0.33) ALDH1A1TSHRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010880-A Organic compound and organic electroluminescent device comprising same 西安交通大学 2026-05-12 CN disclosed
EP-3843728-B1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC INC (US) 2025-04-30 EP disclosed
CN-119431362-A Substituted heteroaryl carboxylic acid compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2025-02-14 CN disclosed
CN-119368027-A Composite nanofiltration membrane and preparation method and application thereof 中国石油化工股份有限公司 2025-01-28 CN disclosed
CN-115243764-B Heterocyclic derivatives as TRMP antagonists 奇华顿股份有限公司 2025-01-03 CN disclosed
CN-117820333-A KRAS G12C inhibitors 伊莱利利公司 2024-04-05 CN disclosed
CN-117222628-A Compound for inhibiting apoptosis and preparation method thereof 中国科学院上海有机化学研究所 2023-12-12 CN disclosed
CN-114828964-B KRAS G12C inhibitors 伊莱利利公司 2023-11-24 CN disclosed
US-20230339968-A1 KRAS Gl2C INHIBITORS ELI LILLY AND COMPANY 2023-10-26 US disclosed
US-20230339968-A1 KRAS Gl2C INHIBITORS ELI LILLY AND COMPANY 2023-10-26 US disclosed
EP-1891006-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 Wyeth a Corporation of the State of Delaware (US) 2008-02-27 EP disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 WYETH (US) 2007-01-04 US disclosed
WO-2006128142-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH (US) 2006-11-30 WO disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
WO-2000006557-A1 NOVEL PROCESS FOR MAKING IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO 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 (4 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 ALDH1A1 3567/4885TSHR 1495/4885TRPA1 317/4885
US-20230339968-A1 KRAS Gl2C INHIBITORS KRAS, NRAS, GLS2 ALDH1A1 1144/4885TSHR 2384/4885TRPA1 3706/4885
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS CETP, NPC1, CES1 ALDH1A1 3257/4885TSHR 4605/4885TRPA1 4234/4885
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A ALDH1A1 2405/4885TSHR 4125/4885TRPA1 960/4885

“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.