SCHEMBL911167

SCHEMBL911167

CCCOc1cccc(C[C]=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
DHFR P00374 1/20 0.47
GGPS1 O95749 2/20 0.45
CYP2D6 P10635 2/20 0.44
ROCK2 O75116 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ROCK1 Q13464 1/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEP1B Q16820 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 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
SCHEMBL3207718 0.92 GGPS1 (0.50) DHFRGGPS1CYP2D6TSHRPLA2G4B
SCHEMBL56662 0.86 CYP3A4 (0.50) DHFRCYP2D6ROCK2CYP3A4CYP2C9
SCHEMBL910492 0.84 KMT2A (0.49) KMT2ADHFRGGPS1CYP2D6ROCK2
SCHEMBL7782358 0.83 KMT2A (0.51) KMT2ADHFRGGPS1CYP2D6ROCK2
SCHEMBL4785324 0.82 MAOB (0.38) GGPS1MAPK1L3MBTL1TSHRTDP1
SCHEMBL6265743 0.81 KMT2A (0.56) KMT2ADHFRGGPS1CYP2D6ROCK2
SCHEMBL7003292 0.81 KMT2A (0.49) KMT2ADHFRGGPS1CYP2D6ROCK2
SCHEMBL59488 0.80 KDM4E (0.61) KMT2ADHFRGGPS1MAPK1L3MBTL1
SCHEMBL5253630 0.79 DHFR (0.56) KMT2ADHFRCYP2D6CYP2C9L3MBTL1
SCHEMBL910937 0.79 LMNA (0.53) KMT2ADHFRCYP2D6MAPK1L3MBTL1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 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 Company, Ltd. (JP) 2010-12-01 EP disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
CN-101080246-A Compositions and systems for forming crosslinked biomaterials and associated methods of preparation and use ANGIOTECH INT AG (CH) 2007-11-28 CN disclosed
CN-1897930-A Compositions and methods for treating contracture ANGIOTECH INT AG (CH) 2007-01-17 CN 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

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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 KMT2A 4332/4885DHFR 4779/4885GGPS1 2307/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 KMT2A 4216/4885DHFR 4767/4885GGPS1 3170/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 KMT2A 2581/4885DHFR 3834/4885GGPS1 2918/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 KMT2A 4416/4885DHFR 4757/4885GGPS1 2556/4885

“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.