SCHEMBL910741

SCHEMBL910741

COC1CCC(CCC=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
KCNQ3 O43525 3/20 0.32
KCNQ2 O43526 3/20 0.32
GRM1 Q13255 1/20 0.30

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
SCHEMBL9254898 0.94 DAO (0.38) DAOKCNQ3KCNQ2
SCHEMBL9254907 0.94 DAO (0.38) DAOKCNQ3KCNQ2
SCHEMBL9254910 0.94 DAO (0.38) DAOKCNQ3KCNQ2
SCHEMBL98083 0.82
SCHEMBL9250483 0.78 DAO (0.36) DAO
SCHEMBL9250476 0.78 DAO (0.36) DAO
SCHEMBL19722252 0.78 DAO (0.36) DAO
SCHEMBL910374 0.77 KCNQ3 (0.33) KCNQ3KCNQ2
SCHEMBL9250415 0.76 DAO (0.36) DAO
SCHEMBL7915691 0.76 DAO (0.34) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 2503/4885KCNQ3 713/4885KCNQ2 918/4885

“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.