SCHEMBL910689

SCHEMBL910689

CCc1ccccc1C(C)[C]=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
MGLL Q99685 2/20 0.38
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
LMNA P02545 2/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL910302 0.86 ADRA2A (0.41) GABRA1GABRB2TSHR
SCHEMBL11611660 0.84 PNMT (0.38) MGLLTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL954886 0.82 MGLL (0.41) GABRA1GABRB2MGLLTSHRMAPT
SCHEMBL6546540 0.78 GABRA1 (0.42) GABRA1GABRB2MGLLTSHRMAPT
SCHEMBL545484 0.78 GABRA1 (0.46) GABRA1GABRB2MGLLTSHRMAPT
SCHEMBL29657207 0.78 GABRA1 (0.46) GABRA1GABRB2MGLLTSHRMAPT
SCHEMBL28857407 0.78 GABRA1 (0.39) GABRA1GABRB2MGLLTSHRMAPT
SCHEMBL10721566 0.76 GABRA1 (0.46) GABRA1GABRB2MGLLTSHRMAPT
SCHEMBL14650862 0.76 GABRA1 (0.41) GABRA1GABRB2MGLLTSHRMAPT
SCHEMBL910554 0.75 ALDH1A1 (0.46) MAPTNPSR1L3MBTL1CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5677299-A VASOPRESSIN OR OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-10-14 US disclosed
US-5498609-A Benzoazepinyl compounds as oxytocin and vasopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-03-12 US disclosed
EP-0612319-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-08-31 EP disclosed
WO-1994004525-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-03 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 GABRA1 1676/4885GABRB2 989/4885MGLL 458/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 GABRA1 4400/4885GABRB2 3764/4885MGLL 3636/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 GABRA1 883/4885GABRB2 375/4885MGLL 4668/4885
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.