SCHEMBL910302

SCHEMBL910302

CCCc1ccccc1C(C)[C]=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
CYSLTR2 Q9NS75 8/20 0.37
CYSLTR1 Q9Y271 8/20 0.37
DAO P14920 1/20 0.34
TSHR P16473 1/20 0.33
HTR1A P08908 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 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
SCHEMBL910689 0.86 GABRA1 (0.39) TSHRGABRA1GABRB2
SCHEMBL28119731 0.80 ADRA2A (0.40) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL11611660 0.79 PNMT (0.38) TSHR
SCHEMBL7643940 0.79 ADRA2A (0.44) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL4843352 0.78 ADRA2A (0.46) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL9621039 0.78 ADRA2A (0.46) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL18377997 0.76 ADRA2A (0.42) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL11200726 0.75 ADRA2A (0.44) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL19254463 0.75 TSHR (0.55) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL872725 0.75 ADRA2A (0.44) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1

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 8 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

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 ADRA2A 725/4885ADRA2B 599/4885ADRA2C 1264/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ADRA2A 3718/4885ADRA2B 4230/4885ADRA2C 4646/4885
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 ADRA2A 4238/4885ADRA2B 4276/4885ADRA2C 4554/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ADRA2A 714/4885ADRA2B 623/4885ADRA2C 1399/4885

“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.