SCHEMBL3322611

SCHEMBL3322611

CCC1(CC)CC(=O)c2cc(F)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HSD11B1 P28845 1/20 0.43
KDM4E B2RXH2 8/20 0.42
ATM Q13315 3/20 0.42
RAD52 P43351 1/20 0.42
HTT P42858 1/20 0.40
KLK7 P49862 1/20 0.39
MAOB P27338 1/20 0.39
CHRNA7 P36544 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 2/20 0.39
CASP7 P55210 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2319017 0.88 HSD11B1 (0.41) MAPTHSD11B1KDM4EATMRAD52
SCHEMBL2319623 0.88 MAOB (0.47) KDM4EMAOBCHRNA7ALDH1A1SMN1; SMN2
SCHEMBL2318443 0.86 HSD11B1 (0.44) MAPTHSD11B1KDM4EATMRAD52
SCHEMBL2320042 0.86 HSD11B1 (0.39) MAPTHSD11B1KDM4EATMRAD52
SCHEMBL8541285 0.84 KDM4E (0.42) MAPTHSD11B1KDM4EATMRAD52
SCHEMBL2320045 0.84 MAPT (0.38) MAPTHSD11B1KDM4EATMRAD52
SCHEMBL7466569 0.83 KDM4E (0.60) MAPTKDM4EATMRAD52HTT
SCHEMBL20587128 0.82 MAPT (0.47) MAPTKDM4EATMRAD52HTT
SCHEMBL29673243 0.82 MAPT (0.47) MAPTKDM4EATMRAD52HTT
SCHEMBL30953823 0.81 KDM4E (0.45) MAPTKDM4EATMRAD52HTT

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 5 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
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
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND ABBOTT GMBH & CO. KG (DE) 2009-06-04 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 (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 MAPT 1697/4885HSD11B1 3001/4885KDM4E 3931/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 MAPT 1871/4885HSD11B1 3070/4885KDM4E 4032/4885
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND U2SURP, UMPS, HNRNPUL1 MAPT 296/4885HSD11B1 2774/4885KDM4E 1079/4885

“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.