SCHEMBL1107166

SCHEMBL1107166

COC(=O)CCc1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.52
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
ALDH1A1 P00352 4/20 0.47

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
Phenyl Propionic Acid SCHEMBL28551157 0.91 FFAR4 (0.57) SIRT2RAB9ATDP1L3MBTL1FFAR4
SCHEMBL13948868 0.90 NPC1 (0.54) RAB9ATDP1FFAR4TAAR1KMT2A
SCHEMBL13103811 0.87 HDAC6 (0.54) RAB9ATDP1HDAC3HDAC1HDAC2
SCHEMBL879289 0.85 CYP4F2 (0.58) RAB9ATDP1L3MBTL1FFAR4TAAR1
Methyl 3-Phenylpropanoate SCHEMBL27822992 0.84 TDP1 (0.59) RAB9ATDP1L3MBTL1KMT2AMEN1
SCHEMBL6171739 0.83 FFAR4 (0.49) RAB9AFFAR4TAAR1KMT2AMEN1
SCHEMBL12646536 0.83 HCAR2 (0.57) RAB9ATDP1L3MBTL1FFAR4HDAC1
SCHEMBL1410879 0.83 SIRT2 (0.52) SIRT2RAB9ATDP1L3MBTL1KMT2A
SCHEMBL28655132 0.83 SLC7A5 (0.57) SIRT2TDP1KMT2ACYP4F2CYP4A11
SCHEMBL1124591 0.83 SPR (0.57) SIRT2TAAR1HDAC6CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed
CN-115197036-B Method for performing anti-mahalanobis hydrogen carboxylation reaction on photocatalytic olefin compound and carbon dioxide 中国科学院理化技术研究所 2024-01-23 CN disclosed
CN-115197036-A Method for carrying out anti-Ma hydrocarboxylation reaction on olefin compound and carbon dioxide by photocatalysis 中国科学院理化技术研究所 2022-10-18 CN disclosed
CN-112469722-A Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2021-03-09 CN disclosed
WO-2017107052-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 US disclosed
EP-2791120-B1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-02-24 EP disclosed
US-9115121-B2 1,3,5-triazine-2-amine derivatives, preparation thereof and diagnostic and therapeutic use thereof SANOFI (FR) 2015-08-25 US disclosed
US-9115121-B2 1,3,5-triazine-2-amine derivatives, preparation thereof and diagnostic and therapeutic use thereof SANOFI (FR) 2015-08-25 US disclosed
US-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof SANOFI (FR) 2014-11-20 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO disclosed
US-20090305998-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 US disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 US 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-20090305998-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 SIRT2 811/4885RAB9A 2651/4885TDP1 959/4885
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 SIRT2 607/4885RAB9A 1749/4885TDP1 3497/4885
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 SIRT2 1474/4885RAB9A 1832/4885TDP1 2586/4885
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A SIRT2 2836/4885RAB9A 659/4885TDP1 419/4885
US-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof ALK, HRH3, HRH4 SIRT2 1845/4885RAB9A 3767/4885TDP1 3447/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 SIRT2 1509/4885RAB9A 1172/4885TDP1 4327/4885

“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.