SCHEMBL910620

SCHEMBL910620

COc1ccc(C(C)[C]=O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KMT2A Q03164 1/20 0.49
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
HPGD P15428 1/20 0.43
TSHR P16473 5/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL909944 0.84 TUBB4A (0.51) L3MBTL1CYP1A2NPSR1KMT2ATSHR
SCHEMBL910427 0.84 TSHR (0.61) ACHENPSR1KMT2ATSHRALDH1A1
SCHEMBL9781892 0.83 ACHE (0.45) ACHECA1CA2L3MBTL1CYP1A2
SCHEMBL8911523 0.82 ATM (0.48) ACHECA1CA2L3MBTL1CYP1A2
SCHEMBL9841161 0.81 ACHE (0.55) ACHECA1CA2L3MBTL1CYP1A2
SCHEMBL10766570 0.78 MAPT (0.47) ACHEL3MBTL1CA9CYP3A4MAPK1
SCHEMBL910636 0.78 MAPT (0.47) ACHEL3MBTL1CA9CYP3A4MAPK1
SCHEMBL10608754 0.78 ACHE (0.54) ACHECA1CA2L3MBTL1CYP1A2
SCHEMBL84033 0.77 PPARG (0.53) ACHECA1CA2L3MBTL1CYP1A2
SCHEMBL8859133 0.75 PPARG (0.52) ACHECA1CA2L3MBTL1CYP1A2

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 9 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
CN-102617400-B 1, 3-dinitrile 2-substituted-1H-indene derivative and preparation method of 1, 3-dinitrile 2-substituted-1H-indene derivative UNIV TIANJIN 2014-01-22 CN 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 ACHE 22/4885CA1 4651/4885CA2 2941/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ACHE 1299/4885CA1 1466/4885CA2 876/4885
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 ACHE 3581/4885CA1 2822/4885CA2 1017/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ACHE 25/4885CA1 4609/4885CA2 3261/4885

“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.