SCHEMBL677634

SCHEMBL677634

COc1cc(C)c(Br)c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PTPN1 P18031 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CA9 Q16790 1/20 0.43
CA1 P00915 2/20 0.42
CA6 P23280 2/20 0.42
CYP19A1 P11511 2/20 0.42
NQO2 P16083 2/20 0.42
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40

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
SCHEMBL27806279 0.86 CA2 (0.50) ACHECA2CA4ALDH1A1TSHR
SCHEMBL14438192 0.84 ACHE (0.43) ACHECA2CA4ALDH1A1TSHR
SCHEMBL27984936 0.81 ALOX5 (0.47) ACHECA2CA4CYP3A4MAPT
SCHEMBL28870388 0.79 CA2 (0.67) ACHECA2CA4ALDH1A1TSHR
SCHEMBL4209565 0.79 ACHE (0.41) ACHECA2CA4ALDH1A1TSHR
SCHEMBL30835564 0.78 ACHE (0.56) ACHEALDH1A1CYP3A4MAPTCA9
SCHEMBL1243920 0.78 ACHE (0.56) ACHEALDH1A1CYP3A4MAPTCA9
SCHEMBL5142104 0.77 ACHE (0.44) ACHECA2CA4ALDH1A1TSHR
SCHEMBL6888521 0.77 CA2 (0.41) ACHECA2CA4ALDH1A1PTPN1
SCHEMBL13063307 0.77 CYP19A1 (0.42) ACHECA2CA4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60019740-A None JP disclosed
JP-60019741-A None JP disclosed
US-12545695-B2 Compounds for inhibiting neovascularization factors and use thereof UNIST (ULSAN NATIONAL INSTITUTE OF SCIENCE AND TECHNOLOGY) (KR) 2026-02-10 US disclosed
US-20240300987-A1 TRAP1 INHIBITOR AND USE THEREOF UNIST (ULSAN NATIONAL INSTITUTE OF SCIENCE AND TECHNOLOGY) (KR) 2024-09-12 US disclosed
CN-114901290-B Compounds for inhibiting angiogenesis factors and uses thereof 蔚山科学技术院 2024-09-03 CN disclosed
EP-4357351-A1 TRAP1 INHIBITOR AND USE THEREOF Smartin Bio Inc. (KR) 2024-04-24 EP disclosed
CN-117769559-A TRAP1 inhibitors and uses thereof 斯玛特恩生物公司 2024-03-26 CN disclosed
EP-4249473-A1 DEUTERATED 1,4-BENZODIAZEPINE-2,5-DIONE COMPOUND AND USE THEREOF Ningbo Combireg Pharmaceutical Technology Co., Ltd (CN) 2023-09-27 EP disclosed
US-20230088747-A1 COMPOUNDS FOR INHIBITING NEOVASCULARIZATION FACTORS AND USE THEREOF UNIST (ULSAN NATIONAL INSTITUTE OF SCIENCE AND TECHNOLOGY) (KR) 2023-03-23 US disclosed
WO-2022265178-A1 TRAP1 INHIBITOR AND USE THEREOF 주식회사 스마틴바이오 2022-12-22 WO disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-08-31 US disclosed
EP-1679003-A1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-07-12 EP disclosed
US-6767923-B2 Benzhydryl derivatives BASF AKTIENGESELLSCHAFT (DE) 2004-07-27 US disclosed
EP-1308433-B1 Benzhydryl derivatives BASF AG (DE) 2004-04-28 EP disclosed
US-20030207938-A1 Such as 5-bromo-6,6'-dimethyl-2,2',3',4'-tetramethoxybenz-hydryl alcohol for controlling harmful phytopathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2003-11-06 US disclosed
EP-1308433-A1 Benzhydryl derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
JP-S6019740-A PRODUCTION OF 2,3,4,5-TETRAMETHOXYTOLUENE SAN EI CHEM IND LTD 1985-01-31 JP disclosed
JP-S6019741-A PRODUCTION OF 2,3,4,5-TETRAMETHOXYTOLUENE SAN EI CHEM IND LTD 1985-01-31 JP 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 (6 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-20030207938-A1 Such as 5-bromo-6,6'-dimethyl-2,2',3',4'-tetramethoxybenz-hydryl alcohol for controlling harmful phytopathogenic fungi CBR1, CBR3, ADH5 ACHE 4795/4885CA2 2414/4885CA4 1805/4885
US-12545695-B2 Compounds for inhibiting neovascularization factors and use thereof VEGFA, FLT1, KDR ACHE 4486/4885CA2 427/4885CA4 196/4885
US-20240300987-A1 TRAP1 INHIBITOR AND USE THEREOF TRAP1, PPP1R7, PPP1R15A ACHE 4833/4885CA2 3127/4885CA4 4321/4885
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases CBR3, CNPY2, PAH ACHE 1653/4885CA2 326/4885CA4 861/4885
US-20230088747-A1 COMPOUNDS FOR INHIBITING NEOVASCULARIZATION FACTORS AND USE THEREOF FLT4, VEGFA, EDF1 ACHE 3700/4885CA2 2903/4885CA4 1136/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4876/4885CA2 4096/4885CA4 4607/4885

“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.