SCHEMBL12601625

SCHEMBL12601625

CCC(C)(CC)CCc1cccc(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.40
▸ REN P00797 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ S1PR1 P21453 8/20 0.38
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ PRKCI P41743 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35

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
SCHEMBL12561897 0.83 DAO (0.42) DAORENENPP2S1PR1PDK1
SCHEMBL6268248 0.77 ENPP2 (0.47) DAOENPP2S1PR1PRSS1PRSS2
SCHEMBL29080272 0.77 ENPP2 (0.47) DAOENPP2S1PR1PDK1PDK2
SCHEMBL13322611 0.75 MRGPRX4 (0.40) ENPP2S1PR1PDK1PDK2PDK3
SCHEMBL14978014 0.73 RIPK1 (0.41) TSHR
SCHEMBL29092744 0.73 ENPP2 (0.44) DAOENPP2S1PR1PDK1PDK2
SCHEMBL6845384 0.73 LPL (0.53) DAOENPP2
SCHEMBL123838 0.73 TSHR (0.61) DAOENPP2S1PR1PRSS1PRSS2
SCHEMBL14459684 0.72 NOS1 (0.46) —
SCHEMBL16800378 0.72 KMT2A (0.44) —

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-8362073-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-01-29 — — US disclosed
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-06-23 — — 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 (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-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG DAO 1997/4885REN 2400/4885ENPP2 13/4885

“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.

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