SCHEMBL16632441

SCHEMBL16632441

CC(C)(C)OC(=O)n1c(C#N)cc2c(Oc3ccccc3OCc3ccccc3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.45
NR1H2 P55055 6/20 0.41
NR1H3 Q13133 2/20 0.39
TLR9 Q9NR96 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
MRGPRX4 Q96LA9 3/20 0.36
XDH P47989 1/20 0.36
SRD5A2 P31213 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL16632608 0.90 TRPV3 (0.40) TRPV3NR1H2NR1H3TLR9TLR7
SCHEMBL16632472 0.90 TRPV3 (0.39) TRPV3NR1H2NR1H3TLR9TLR7
SCHEMBL16632578 0.86 TRPV3 (0.47) TRPV3NR1H2NR1H3TLR9TLR7
SCHEMBL16632645 0.84 NR1H2 (0.40) TRPV3NR1H2NR1H3CHRM2CHRM4
SCHEMBL16632521 0.78 TRPV3 (0.41) TRPV3TLR9TLR7MRGPRX4
SCHEMBL27683747 0.77 EDNRA (0.41) TRPV3NR1H2NR1H3MRGPRX4
SCHEMBL12260285 0.77 TRPV3 (0.50) TRPV3NR1H2NR1H3TLR9TLR7
SCHEMBL29955354 0.77 TRPV3 (0.50) TRPV3NR1H2NR1H3TLR9TLR7
SCHEMBL12803883 0.77 TRPV3 (0.52) TRPV3NR1H2NR1H3TLR9TLR7
SCHEMBL2790380 0.77 TRPV3 (0.50) TRPV3NR1H2NR1H3TLR9TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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 (1 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR TRPV3 4220/4885NR1H2 1253/4885NR1H3 938/4885

“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.