SCHEMBL2321310

SCHEMBL2321310

O=C1CC(CF)(CF)Oc2cc(C(F)(F)F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TRPV1 Q8NER1 8/20 0.39
KDM4E B2RXH2 3/20 0.38
TDP2 O95551 1/20 0.38
LMNA P02545 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 5/20 0.35
RAD52 P43351 1/20 0.35
ATM Q13315 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
SCHEMBL30953863 1.00 ALDH1A1 (0.40) ALDH1A1TRPV1KDM4ETDP2LMNA
SCHEMBL7039475 0.89 KDM4E (0.43) ALDH1A1TRPV1KDM4ETDP2HTT
SCHEMBL2318941 0.87 ALDH1A1 (0.42) ALDH1A1TRPV1KDM4ETDP2LMNA
SCHEMBL30953797 0.87 ALDH1A1 (0.42) ALDH1A1TRPV1KDM4ETDP2LMNA
SCHEMBL2319570 0.84 ALDH1A1 (0.43) ALDH1A1TRPV1KDM4ETDP2LMNA
SCHEMBL3592481 0.84 ALDH1A1 (0.45) ALDH1A1KDM4ETDP2LMNACRHBP
SCHEMBL30953673 0.84 ALDH1A1 (0.45) ALDH1A1KDM4ETDP2LMNACRHBP
SCHEMBL2317603 0.81 MAOB (0.45) ALDH1A1KDM4ESMN1; SMN2MAOB
SCHEMBL2319826 0.80 ALDH1A1 (0.49) ALDH1A1TRPV1KDM4ELMNACRHBP
SCHEMBL1451122 0.79 ALDH1A1 (0.61) ALDH1A1KDM4ELMNACRHBPHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
EP-2352726-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
EP-2352727-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
WO-2010045402-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO disclosed
WO-2010045401-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO 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 (2 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-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 ALDH1A1 1287/4885TRPV1 1/4885KDM4E 3931/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 ALDH1A1 1284/4885TRPV1 1/4885KDM4E 4032/4885

“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.