SCHEMBL600742

SCHEMBL600742

CCC(C(=O)O)C1CCC(c2ccc(O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 15/20 0.49
▸ ESR1 P03372 6/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2D6 P10635 1/20 0.42
▸ HDAC2 Q92769 1/20 0.40
▸ DEGS1 O15121 1/20 0.40

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
SCHEMBL4976355 0.88 SLC18A3 (0.47) —
SCHEMBL1171605 0.88 SLC18A3 (0.47) —
SCHEMBL4975063 0.87 IDO1 (0.48) CYP2C9
SCHEMBL3900477 0.87 IDO1 (0.48) CYP2C9
SCHEMBL432492 0.80 ESR2 (0.53) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL660938 0.80 ESR2 (0.53) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL603381 0.78 DRD2 (0.50) CYP2C9
SCHEMBL5967397 0.78 — —
SCHEMBL6270743 0.78 — —
Acetic Acid SCHEMBL6249037 0.76 ESR2 (0.67) ESR2ESR1CYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 — — 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 ESR2 4767/4885ESR1 4844/4885CYP3A4 274/4885

“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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