SCHEMBL145855

SCHEMBL145855

COc1cc(C)cc(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
ACHE P22303 3/20 0.55
CYP3A4 P08684 4/20 0.50
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
PTPN1 P18031 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
ELANE P08246 1/20 0.41
MAPT P10636 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
SCHEMBL29587173 0.97 ALDH1A1 (0.59) ALDH1A1ACHECYP3A4TSHRMAPK1
SCHEMBL12501 0.93 ALDH1A1 (0.73) ALDH1A1ACHECYP3A4TSHRMAPK1
SCHEMBL4342018 0.89 ALDH1A1 (0.50) ALDH1A1ACHECYP3A4TSHRMAPK1
SCHEMBL16707188 0.87 ALDH1A1 (0.48) ALDH1A1ACHECYP3A4TSHRMAPK1
SCHEMBL879948 0.87 ALDH1A1 (0.60) ALDH1A1ACHECYP3A4TSHRMAPK1
SCHEMBL2952197 0.85 ALDH1A1 (0.53) ALDH1A1ACHECYP3A4CYP1A1CYP1B1
SCHEMBL154259 0.84 ALDH1A1 (0.46) ALDH1A1ACHECYP3A4TSHRMAPK1
SCHEMBL25062001 0.81 ALDH1A1 (0.48) ALDH1A1ACHECYP3A4TSHRMAPK1
SCHEMBL388119 0.81 ALDH1A1 (0.48) ALDH1A1ACHECYP3A4TSHRMAPK1
SCHEMBL11885 0.81 ALDH1A1 (0.48) ALDH1A1ACHECYP3A4TSHRMAPK1

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

Appears in 3888 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260055051-A1 Compound with anti-tumor activity, preparation method therefor, and use thereof OCEAN UNIV CHINA (CN) 2026-02-26 US claimed
CN-120040272-A Method for producing m-ethyl anisole and p-ethyl anisole by using xylenol oil 煤炭科学技术研究院有限公司 2025-05-27 CN claimed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-118620306-B Marine photovoltaic floating body material made of recyclable HDPE 江苏安拓普聚合物有限公司 2024-11-22 CN claimed
CN-118620306-A Marine photovoltaic floating body material made of recyclable HDPE 江苏安拓普聚合物有限公司 2024-09-10 CN claimed
CN-118420444-A Method for synthesizing benzaldehyde compound by immobilization and cooperative visible light catalysis 华中师范大学 2024-08-02 CN claimed
CN-114164435-B Method for preparing alpha-aluminum trihydride by electrochemical catalysis 北京珺政慧通科技有限公司 2023-03-14 CN claimed
CN-115716847-A Preparation method of B, si-bimetal reagent 苏州大学 2023-02-28 CN claimed
CN-113200899-B Aryl selenide compound and synthetic method thereof 成都理工大学 2022-11-04 CN claimed
CN-115260053-A Compound with antitumor activity and preparation method and application thereof 中国海洋大学 2022-11-01 CN claimed
EP-1313690-B1 METHOD OF PRODUCING FLUORINATED AND CHLORINATED BENZALDEHYDES MILLIKEN & CO (US) 2005-04-06 EP claimed
US-20040225056-A1 Solutions and dispersions of organic semiconductors MERCK PATENT GMBH (DE) 2004-11-11 US claimed
EP-1370619-A1 SOLUTIONS AND DISPERSIONS OF ORGANIC SEMICONDUCTORS Covion Organic Semiconductors GmbH (DE) 2003-12-17 EP claimed
EP-1313690-A1 METHOD OF PRODUCING FLUORINATED AND CHLORINATED BENZALDEHYDES AND COMPOSITIONS THEREOF Milliken & Company (US) 2003-05-28 EP claimed
WO-2002072714-A1 SOLUTIONS AND DISPERSIONS OF ORGANIC SEMICONDUCTORS COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2002-09-19 WO claimed
WO-2002020447-A1 METHOD OF PRODUCING FLUORINATED AND CHLORINATED BENZALDEHYDES AND COMPOSITIONS THEREOF MILLIKEN & COMPANY (US) 2002-03-14 WO claimed
US-6300525-B1 CONTACTING SUBSTITUTED BENZENE IN CARBON MONOXIDE ATMOSPHERE HAVING SPECIFIED PRESSURE IN PRESENCE OF METAL HALIDE AND HYDROHALIC ACID CATALYST AND AT SPECIFIED TEMPERATURE MILLIKEN & COMPANY 2001-10-09 US claimed
US-5475155-A Reacting an alpha-haloketone with a phenolic-hydroxyl containing compound and a strong protonic acid; neutralization; dehydrohalogenation; dealkylation THE DOW CHEMICAL COMPANY (US) 1995-12-12 US claimed
US-4707161-A Lightfastness of dyeings obtained with acid dyes or metal complex dyes on polyamides: treatment with copper hydroxamates BASF AKTIENGESELLSCHAFT (DE) 1987-11-17 US claimed
US-4493904-A COORDINATION, POLYMERIZATION CATALYST CONTAINING TITANIUM TRICHORI CONOCO INC. (US) 1985-01-15 US claimed