SCHEMBL910373

SCHEMBL910373

COC1CCCC(CC[C]=O)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL910533 0.81 DPP4 (0.36) IDO1TDO2DPP4DPP7
SCHEMBL5682452 0.79 DPP4 (0.34) IDO1TDO2DPP4DPP7
SCHEMBL31568893 0.77 CYP1A2 (0.35) IDO1TDO2DPP4DPP7
SCHEMBL19386798 0.77 CYP1A2 (0.35) IDO1TDO2DPP4DPP7
SCHEMBL910740 0.77 DAO (0.41)
SCHEMBL5218136 0.76
SCHEMBL18176002 0.76 ESR2 (0.34) IDO1TDO2DPP4DPP7
SCHEMBL910374 0.75 KCNQ3 (0.33) IDO1TDO2DPP4DPP7
SCHEMBL5682357 0.73 CYP1A2 (0.32) IDO1TDO2
SCHEMBL17835259 0.72 DPP4 (0.33) IDO1TDO2DPP4DPP7

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 IDO1 4798/4885TDO2 4827/4885DPP4 1370/4885

“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.