SCHEMBL4348338

SCHEMBL4348338

CCOc1ccc2c(c1)OC1(CCCC1)CC2=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 5/20 0.60
HPGD P15428 4/20 0.60
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
MAOB P27338 8/20 0.50
CASP1 P29466 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CASP7 P55210 1/20 0.49
GAA P10253 3/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46

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
SCHEMBL11112861 0.90 KDM4E (0.73) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL4351260 0.88 KDM4E (0.76) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL9444331 0.85 KDM4E (0.84) KDM4EALDH1A1HPGDHTTATM
SCHEMBL31260252 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL11106592 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL11125976 0.84 KDM4E (0.52) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL11112031 0.83 MAOB (0.71) KDM4EALDH1A1HPGDMAOBGAA
SCHEMBL16120875 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL620043 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL22446361 0.81 ALDH1A1 (0.54) KDM4EALDH1A1HPGDCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598220-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-12-03 US disclosed
US-7622493-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES (US) 2009-11-24 US disclosed
US-20090233953-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2009-09-17 US disclosed
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof ABBVIE INC. 2007-10-25 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 (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-20090233953-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF OPRL1, AVPR1A, TRPV1 KDM4E 3574/4885ALDH1A1 579/4885HPGD 1161/4885
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof OPRL1, AVPR1A, AVPR1B KDM4E 3498/4885ALDH1A1 556/4885HPGD 1152/4885

“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.