SCHEMBL4431450

SCHEMBL4431450

COc1cccc(C(C)Br)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.50
AOC3 Q16853 3/20 0.49
ACHE P22303 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
POLB P06746 1/20 0.44

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
SCHEMBL7681682 0.85 AOC3 (0.50) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL1742768 0.85 AOC3 (0.50) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL6204864 0.83 L3MBTL1 (0.51) CASRAOC3ACHEL3MBTL1CA1
SCHEMBL8053712 0.83 L3MBTL1 (0.51) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL10290007 0.83 CASR (0.53) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL84440 0.83 HDAC4 (0.55) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL11619720 0.83 CASR (0.53) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL30601580 0.83 HDAC4 (0.55) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL11563492 0.82 AOC3 (0.50) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL6204866 0.82 AOC3 (0.56) CASRAOC3ACHEL3MBTL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026860-A Preparation method of 3- [1- (dimethylamino) ethyl ] phenol 福建福瑞明德药业有限公司 2024-05-14 CN claimed
US-20260000642-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS TAY THERAPEUTICS LTD (GB) 2026-01-01 US disclosed
US-20250263370-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS Tay Therapeutics Limited (GB) 2025-08-21 US disclosed
EP-4558224-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS Tay Therapeutics Limited (GB) 2025-05-28 EP disclosed
EP-3976617-B1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2025-04-23 EP disclosed
CN-118026860-A Preparation method of 3- [1- (dimethylamino) ethyl ] phenol 福建福瑞明德药业有限公司 2024-05-14 CN disclosed
WO-2024018423-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS Tay Therapeutics Limited (GB) 2024-01-25 WO disclosed
CN-108137542-B Pyridone dicarboxamides as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2023-10-27 CN disclosed
US-20220348592-A1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-11-03 US disclosed
CN-109661396-B Spiro-fused cyclic ureas as ROCK inhibitors 百时美施贵宝公司 2022-07-01 CN disclosed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP disclosed
EP-2073816-A2 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2009-07-01 EP disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO disclosed
WO-2008063300-A2 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2008-05-29 WO disclosed
CN-101171234-A Dihydropyridine derivatives OUGARI CO LTD (NL) 2008-04-30 CN disclosed
CN-1706820-A Prepn and application of N-[2-(aryloxy)ethyl]-2-(arylthio) benzyl amine derivative UNIV TIANJIN (CN) 2005-12-14 CN disclosed
EP-0572001-B1 Furobenzopyran derivatives, process for preparation of same and herbicides containing same as active components MITSUI CHEMICALS INC (JP) 1998-08-05 EP disclosed
US-5530146-A TETRAHYDROFURAN DERIVATIVE INTERMEDIATES MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-06-25 US disclosed
US-5356866-A Completely selective to crops such as paddy rice, soybeans and cotton MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-10-18 US disclosed
EP-0572001-A1 Furobenzopyran derivatives, process for preparation of same and herbicides containing same as active components MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-12-01 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-20260000642-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS BET1, BRD4, PHKB CASR 3016/4885AOC3 3250/4885ACHE 4667/4885
US-20220348592-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 CASR 4855/4885AOC3 2751/4885ACHE 3612/4885
US-20250263370-A1 PYRROLES AND IMIDAZOLES AS BET PROTEIN INHIBITORS BET1, PHKB, BRD4 CASR 4518/4885AOC3 4605/4885ACHE 3965/4885

“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.