SCHEMBL15523224

SCHEMBL15523224

COC(=O)C1(c2ccc(OC(F)(F)F)cc2)CC(OC)(OC)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.42
▸ SLC6A4 P31645 10/20 0.40
▸ SLC6A3 Q01959 8/20 0.40
▸ SLC6A2 P23975 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL14894559 0.87 SLC6A4 (0.41) EPHX2SLC6A4SLC6A3SLC6A2TRPV1
SCHEMBL14894428 0.86 OPRL1 (0.45) EPHX2SLC6A4SLC6A3SLC6A2
SCHEMBL21820750 0.83 SLC6A4 (0.50) EPHX2SLC6A4SLC6A3SLC6A2PDE2A
SCHEMBL21820719 0.78 SLC6A4 (0.41) EPHX2SLC6A4SLC6A3SLC6A2TRPV1
SCHEMBL20703425 0.78 MEN1 (0.37) SLC6A3RAB9A
SCHEMBL15522936 0.77 TLR7 (0.49) POLBTRPV1PDE2ANPC1RAB9A
SCHEMBL25431969 0.71 MEN1 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL14894469 0.71 OPRM1 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL1465617 0.71 KMT2A (0.48) EPHX2SLC6A4SLC6A3SLC6A2
SCHEMBL14894684 0.71 HDAC3 (0.40) EPHX2NPC1RAB9A

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-8772499-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 — — US disclosed
US-20140080803-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2014-03-20 — — 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-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 EPHX2 2335/4885SLC6A4 498/4885SLC6A3 747/4885

“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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