SCHEMBL2436067

SCHEMBL2436067

CCC(=O)Cc1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.56
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
MAPK8 P45983 1/20 0.44
IDO1 P14902 2/20 0.44
MAOB P27338 1/20 0.44
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL29635163 0.90 CTBP2 (0.61) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL7073775 0.90 CTBP2 (0.61) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL5180962 0.85 CTBP2 (0.53) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL11181344 0.85 CTBP2 (0.60) CTBP2POLBL3MBTL1NPC1CASP3
SCHEMBL25689281 0.83 L3MBTL1 (0.57) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL12106782 0.83 CTBP2 (0.54) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL3016501 0.83 CTBP2 (0.54) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL12106784 0.83 CTBP2 (0.54) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL12164760 0.82 BCL2 (0.46) L3MBTL1ALDH1A1HPGDTDP1
SCHEMBL1463377 0.82 CTBP2 (0.50) CTBP2POLBL3MBTL1NPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929400-B Nickel catalyst system, high-performance polybutadiene and preparation method thereof 北京化工大学 2023-03-14 CN claimed
CN-108929400-A A kind of nickel catalyst system, high-performance polybutadiene and preparation method thereof 北京化工大学 2018-12-04 CN claimed
CN-102300550-A Perfume systems 2011-12-28 CN claimed
CN-120136646-A Method for synthesizing benzyl alkyl ketone compound by visible light catalysis 中国科学院化学研究所 2025-06-13 CN disclosed
EP-4271696-A2 CYCLIC-DISULFIDE MODIFIED PHOSPHATE BASED OLIGONUCLEOTIDE PRODRUGS Alnylam Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
WO-2022147214-A2 CYCLIC-DISULFIDE MODIFIED PHOSPHATE BASED OLIGONUCLEOTIDE PRODRUGS ALNYLAM PHARMACEUTICALS, INC. (US) 2022-07-07 WO disclosed
CN-109134868-A A kind of graft copolymer and graft copolymer/argentum nano composite material and preparation method thereof 北京引发科技有限公司 2019-01-04 CN disclosed
CN-108929400-A A kind of nickel catalyst system, high-performance polybutadiene and preparation method thereof 北京化工大学 2018-12-04 CN disclosed
US-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2018-06-28 US disclosed
US-8980899-B2 Methods of inhibiting Ire1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-17 US disclosed
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 US disclosed
WO-2012171337-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP disclosed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO disclosed
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 US disclosed
WO-2007135131-A9 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2008-04-03 WO disclosed
WO-2007135131-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 WO disclosed
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CTBP2 2897/4885POLB 2552/4885L3MBTL1 2295/4885
US-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF HCRTR2, HCRTR1, NPSR1 CTBP2 4164/4885POLB 4789/4885L3MBTL1 4598/4885
US-20120322814-A1 METHODS OF INHIBITING IRE1 XBP1, DNAJC10, HSPA5 CTBP2 1810/4885POLB 1895/4885L3MBTL1 341/4885
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 CTBP2 4788/4885POLB 2060/4885L3MBTL1 4672/4885

“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.