SCHEMBL16771

SCHEMBL16771

CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PDE10A Q9Y233 1/20 0.38
ROCK2 O75116 1/20 0.36
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL29417696 0.99 CA1 (0.38) CA1CA2CA7CA9PDE10A
Benzene SCHEMBL27041778 0.99 PDE10A (0.39) CA1CA2CA7CA9PDE10A
Hydrochloric Acid SCHEMBL29384717 0.99 CA1 (0.38) CA1CA2CA7CA9PDE10A
SCHEMBL29419722 0.99 CA1 (0.38) CA1CA2CA7CA9PDE10A
SCHEMBL29513049 0.99 CA1 (0.38) CA1CA2CA7CA9PDE10A
SCHEMBL27889406 0.95 ROCK2 (0.36) CA1CA2CA7CA9PDE10A
Phosphine SCHEMBL27870826 0.94 ROCK2 (0.36) CA1CA2CA7CA9PDE10A
SCHEMBL12212572 0.92 CA1 (0.36) CA1CA2CA7CA9PDE10A
SCHEMBL30379139 0.92 CA1 (0.39) CA1CA2CA7CA9PDE10A
SCHEMBL29413697 0.91 CA1 (0.36) CA1CA2CA7CA9PDE10A

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 5789 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735424-A1 PROCESSES FOR MAKING IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2026-05-06 EP claimed
EP-4725945-A1 PREPARATION METHOD FOR FORMAMIDE COMPOUNDS Shanghai Senhui Medicine Co., Ltd. (CN) 2026-04-15 EP claimed
US-20260062361-A1 PROCESS FOR THE PREPARATION OF BIO-BASED OLEFINS FROM PRIMARY ALCOHOL BASF SE (DE) 2026-03-05 US claimed
EP-4628491-A1 SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF NEUROKININ-3 RECEPTOR ANTAGONISTS Química Sintética, S.A. (ES) 2025-10-08 EP claimed
US-20250206723-A1 METHODS AND PROCESSES FOR THE PREPARATION OF MCT4 INHIBITORS Vettore, LLC 2025-06-26 US claimed
EP-4568953-A1 METHODS AND PROCESSES FOR THE PREPARATION OF MCT4 INHIBITORS Vettore, LLC (US) 2025-06-18 EP claimed
US-20250092008-A1 PROCESS FOR MAKING AN EP4 ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2025-03-20 US claimed
US-12233402-B2 Cross-coupling reaction catalysts, and methods of making and using same YALE UNIVERSITY (US) 2025-02-25 US claimed
US-20250042906-A1 PROCESSES FOR MAKING IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US claimed
WO-2025024795-A1 CRYSTALLINE FORMS NEUROCRINE BIOSCIENCES, INC. (US) 2025-01-30 WO claimed
CN-102690269-B Trifluoro methyl substituted quinoline or quinoxaline compound and preparation method thereof, and pharmaceutical composition containing the compound and purpose thereof SHANGHAI INST MATERIA MEDICA 2015-01-07 CN claimed
US-20140187782-A1 METHOD FOR PRODUCING BENZO[B]THIOPHENE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-07-03 US claimed
CN-101973911-B Method for synthesizing anastrozole intermediate-2,2'-(5-methyl-1,3-phenylene)-bis-(2-methyl propionitrile) USTC UNIV SCIENCE TECH CN 2013-11-06 CN claimed
CN-102001933-B Method for synthesizing naproxen USTC UNIV SCIENCE TECH CN 2013-07-17 CN claimed
CN-103113375-A Pyrazolo [3, 4-d] pyrimidine compounds and preparation method thereof JIANGSU SIMCERE PHARM RES CO 2013-05-22 CN claimed
EP-2404908-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST Teijin Pharma Limited (JP) 2012-01-11 EP claimed
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST TEIJIN PHARMA LIMITED (JP) 2011-12-22 US claimed
WO-2009051417-A2 PHENANTHRENE LACTAM DERIVATIVES HAVING ANTICANCER ACTIVITY AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-23 WO claimed
EP-1968963-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING ANALGESICS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079959-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING ANALGESICS Grünenthal GmbH (DE) 2007-07-19 WO claimed