SCHEMBL910032

SCHEMBL910032

CCCc1ccccc1C[C]=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
PRKCI P41743 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL96154 0.84 GABRA1 (0.45) GABRA1GABRB2TAAR1
SCHEMBL11480751 0.83 GABRA1 (0.36) GABRA1GABRB2TAAR1
SCHEMBL910303 0.83 GABRA1 (0.41) DAOGABRA1GABRB2HTR1AADRA2A
SCHEMBL28119732 0.82 DAO (0.40) DAOGABRA1GABRB2HTR1AADRA2A
SCHEMBL29488434 0.81 ADRA2B (0.44) DAOGABRA1GABRB2HTR1AADRA2A
SCHEMBL142479 0.81 ADRA2B (0.44) DAOGABRA1GABRB2HTR1AADRA2A
SCHEMBL327380 0.79 GABRA1 (0.46) DAOGABRA1GABRB2ADRA2AADRA2B
SCHEMBL31613870 0.79 GABRA1 (0.46) DAOGABRA1GABRB2ADRA2AADRA2B
SCHEMBL7781555 0.78 ALDH1A1 (0.44) HTR1AADRA2AADRA2BADRA2CPPARA
SCHEMBL28610932 0.78 GABRA1 (0.41) DAOGABRA1GABRB2HTR1AADRA2A

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
CN-101267803-B Wrinkle-improving agent SHISEIDO CO LTD 2011-06-08 CN 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
CN-101267803-A Wrinkle-improving agent SHISEIDO CO LTD (JP) 2008-09-17 CN 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-4045435-A Preparation of cephalosporin ethers ELI LILLY AND COMPANY (US) 1977-08-30 US disclosed
US-3953438-A Preparation of cephalosporin ethers ELI LILLY AND COMPANY (US) 1976-04-27 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 DAO 201/4885GABRA1 1676/4885GABRB2 989/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 DAO 1989/4885GABRA1 4400/4885GABRB2 3764/4885
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 DAO 2503/4885GABRA1 883/4885GABRB2 375/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 DAO 235/4885GABRA1 1620/4885GABRB2 899/4885

“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.