SCHEMBL2321373

SCHEMBL2321373

CC1(C)CC(=O)c2ccc(F)c(F)c2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.43
MAOB P27338 11/20 0.42
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
RRM1 P23921 1/20 0.35
RRM2B Q7LG56 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2319012 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMAOBCNR1
SCHEMBL2321465 0.80 MAOB (0.45) ALDH1A1KDM4EMAPTMAOBCNR1
SCHEMBL2320424 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTMAOBHPGD
SCHEMBL30836817 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTMAOBHPGD
SCHEMBL10608665 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMAOBHPGD
SCHEMBL10609239 0.74 KDM4E (0.48) ALDH1A1KDM4EMAPTMAOBHPGD
SCHEMBL10402573 0.73 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTMAOBHPGD
SCHEMBL2318815 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMAOBHPGD
SCHEMBL16335003 0.72 KDM4E (0.45) ALDH1A1KDM4EMAPTMAOBCNR1
SCHEMBL1983678 0.72 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTMAOBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
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
WO-2013096223-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 WO disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 US disclosed
EP-2352727-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
EP-2352726-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-2010045401-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO disclosed
WO-2010045402-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 (3 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 1287/4885KDM4E 3931/4885MAPT 1697/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 ALDH1A1 1284/4885KDM4E 4032/4885MAPT 1871/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 ALDH1A1 2453/4885KDM4E 3257/4885MAPT 3049/4885

“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.