SCHEMBL909945

SCHEMBL909945

COc1ccc(CC[C]=O)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.63
CYP1A2 P05177 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
APEX1 P27695 1/20 0.61
KMT2A Q03164 1/20 0.61
TUBB4A P04350 4/20 0.59
TUBB P07437 4/20 0.59
TUBA3C P0DPH7 4/20 0.59
TUBA1B P68363 4/20 0.59
TUBA4A P68366 4/20 0.59
TUBB4B P68371 4/20 0.59
TUBB3 Q13509 4/20 0.59
TUBB2A Q13885 4/20 0.59
TUBB8 Q3ZCM7 4/20 0.59
TUBA3E Q6PEY2 4/20 0.59
TUBA1A Q71U36 4/20 0.59
TUBA1C Q9BQE3 4/20 0.59

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
SCHEMBL910429 0.87 TAAR1 (0.65) CYP3A4CYP1A2TSHRNFKB1LMNA
SCHEMBL910622 0.84 STAT3 (0.60) CYP3A4CYP1A2CYP19A1
SCHEMBL11801831 0.83 TSHR (0.63) CYP3A4CYP1A2TSHRNFKB1MEN1
SCHEMBL910732 0.83 CYP1A2 (0.62) CYP3A4CYP1A2TSHRNFKB1MEN1
SCHEMBL901444 0.79 CYP3A4 (0.71) CYP3A4CYP1A2TSHRNFKB1MEN1
SCHEMBL2632685 0.79 TSHR (0.71) CYP3A4CYP1A2TSHRNFKB1MEN1
SCHEMBL29833121 0.79 CYP3A4 (0.71) CYP3A4CYP1A2TSHRNFKB1MEN1
SCHEMBL1891731 0.78 ALOX15 (0.59) CYP3A4CYP1A2TSHRNFKB1LMNA
SCHEMBL5181048 0.77 TSHR (0.69) CYP3A4CYP1A2TSHRNFKB1MEN1
SCHEMBL21402297 0.77 TSHR (0.69) CYP3A4CYP1A2TSHRNFKB1MEN1

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 CYP3A4 4513/4885CYP1A2 3833/4885TSHR 4713/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CYP3A4 4084/4885CYP1A2 3980/4885TSHR 4711/4885
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 CYP3A4 4236/4885CYP1A2 4699/4885TSHR 2401/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CYP3A4 4511/4885CYP1A2 3658/4885TSHR 4731/4885

“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.