SCHEMBL4356187

SCHEMBL4356187

CON=C1CC2(CCCCC2)Oc2cc(O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.41
ALDH1A1 P00352 9/20 0.41
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 5/20 0.36
HPGD P15428 3/20 0.34
EGFR P00533 1/20 0.34
BRAF P15056 1/20 0.34
MAPT P10636 6/20 0.33
GAA P10253 6/20 0.33
MEN1 O00255 4/20 0.33
LMNA P02545 4/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTR2C P28335 1/20 0.32
CASP1 P29466 1/20 0.31

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
SCHEMBL17709005 0.81 KDM4E (0.58) KDM4EALDH1A1KMT2AMAPTGAA
SCHEMBL1933585 0.75 KDM4E (0.61) KDM4EALDH1A1HTTATMKMT2A
SCHEMBL3326706 0.74 HSD11B1 (0.42) KDM4EALDH1A1HTTATMKMT2A
SCHEMBL3326708 0.74 HSD11B1 (0.42) KDM4EALDH1A1HTTATMKMT2A
SCHEMBL11114046 0.74 KDM4E (0.63) KDM4EALDH1A1HTTATMKMT2A
SCHEMBL7671794 0.72 MAOB (0.44) KDM4EALDH1A1MAOAMAOB
SCHEMBL7671800 0.72 MAOB (0.44) KDM4EALDH1A1MAOAMAOB
SCHEMBL619664 0.71 KDM4E (0.63) KDM4EALDH1A1HTTATMKMT2A
SCHEMBL619822 0.70 KDM4E (0.43) KDM4EALDH1A1HTTATMKMT2A
SCHEMBL619821 0.70 KDM4E (0.43) KDM4EALDH1A1HTTATMKMT2A

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 6 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
EP-2012778-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF Abbott Laboratories (US) 2009-01-14 EP disclosed
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof ABBVIE INC. 2007-10-25 US disclosed
WO-2007121299-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2007-10-25 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-20090233953-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF OPRL1, AVPR1A, TRPV1 KDM4E 3574/4885ALDH1A1 579/4885HTT 4358/4885
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof OPRL1, AVPR1A, AVPR1B KDM4E 3498/4885ALDH1A1 556/4885HTT 4309/4885

“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.