SCHEMBL4355348

SCHEMBL4355348

CCOc1ccc2c(c1)OC1(CCCC1)CC2N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CA1 P00915 4/20 0.35
CA7 P43166 4/20 0.35
CA9 Q16790 4/20 0.35
CA2 P00918 3/20 0.35
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
HRH3 Q9Y5N1 9/20 0.34
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.33
CYP1A2 P05177 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL4347771 0.89 KDM4E (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4352829 0.84 MAPT (0.44) KDM4EALDH1A1MEN1KMT2AHRH3
SCHEMBL619734 0.83 MAPT (0.44) KDM4EALDH1A1MEN1KMT2AHRH3
SCHEMBL3804180 0.81 KDM1A (0.47) ALDH1A1HPGDNPC1CA2CA5A
SCHEMBL617965 0.77 SLC6A4 (0.35) KDM4EALDH1A1MEN1KMT2ACHRNB2
SCHEMBL11481692 0.77 KDM4E (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4814770 0.75 KDM4E (0.41) KDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL620214 0.74 KDM4E (0.40) KDM4EALDH1A1KMT2A
SCHEMBL4355338 0.74 KDM1A (0.36)
SCHEMBL11246000 0.74 HTR2B (0.40) KDM4EMEN1KMT2A

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.