SCHEMBL96154

SCHEMBL96154

CCc1ccccc1C[C]=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.45
GABRB2 P47870 4/20 0.45
MGLL Q99685 1/20 0.39
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CTSB P07858 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11480751 0.89 GABRA1 (0.36) GABRA1GABRB2L3MBTL1TAAR1ALDH1A1
SCHEMBL910032 0.84 DAO (0.38) GABRA1GABRB2TAAR1
SCHEMBL25425763 0.81 GABRA1 (0.58) GABRA1GABRB2MGLLMAPTL3MBTL1
SCHEMBL29390847 0.81 GABRA1 (0.58) GABRA1GABRB2MGLLMAPTL3MBTL1
SCHEMBL36294 0.81 GABRA1 (0.58) GABRA1GABRB2MGLLMAPTL3MBTL1
SCHEMBL791151 0.79 GABRA1 (0.48) GABRA1GABRB2MGLLMAPTL3MBTL1
SCHEMBL28460037 0.79 GABRA1 (0.48) GABRA1GABRB2MGLLMAPTL3MBTL1
SCHEMBL811980 0.78 TAAR1 (0.52) MAPTTAAR1ALDH1A1GAAKDM4E
SCHEMBL7687789 0.78 APOBEC3G (0.43) L3MBTL1TAAR1ALDH1A1GAA
SCHEMBL956458 0.78 ALDH1A1 (0.52) GABRA1GABRB2MGLLMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964544-A1 Sensitive skin perfumes Takasago International Corporation (JP) 2008-09-03 EP claimed
EP-1964542-A1 Sensitive skin perfumes Takasago International Corporation (JP) 2008-09-03 EP claimed
CN-106278965-B Aryl alkyl asymmetry over cure class compound and its synthetic method and application 华东师范大学 2018-02-23 CN disclosed
CN-106278965-A Aryl alkyl asymmetric over cure compounds and synthetic method thereof and application 华东师范大学 2017-01-04 CN disclosed
CN-102319184-B Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD 2015-03-25 CN disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
CN-101969920-B Parakeratosis inhibitor, pore shrinking agent or agent for preventing or improving rough skin, and composition for external use on the skin containing the same SHISEIDO CO LTD 2013-09-18 CN disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-5208152-A CATALYSTS OF DIELS-ALDER REACTIONS, METHODS AND CATALYSTS THEREFOR THE SCRIPPS RESEARCH INSTITUTE (US) 1993-05-04 US disclosed
WO-1991005804-A1 CATALYSIS OF DIELS-ALDER REACTIONS, METHODS AND CATALYSTS THEREFOR SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-05-02 WO disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 US disclosed
US-4042472-A Electrolytic process for 7-methoxy-3-exomethylenecepham compounds ELI LILLY AND COMPANY (US) 1977-08-16 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 (3 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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 GABRA1 3368/4885GABRB2 3758/4885MGLL 1523/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 GABRA1 4400/4885GABRB2 3764/4885MGLL 3636/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 GABRA1 1620/4885GABRB2 899/4885MGLL 342/4885

“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.