SCHEMBL16632578

SCHEMBL16632578

Cc1cc2c(Oc3ccccc3OCc3ccccc3)cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.47
NR1H2 P55055 4/20 0.41
PTGER1 P34995 3/20 0.40
TLR9 Q9NR96 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
NR1H3 Q13133 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SRD5A2 P31213 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 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
SCHEMBL16632441 0.86 TRPV3 (0.45) TRPV3NR1H2TLR9TLR7MRGPRX4
SCHEMBL16632576 0.85 NR1H2 (0.41) TRPV3NR1H2PTGER1TLR9TLR7
SCHEMBL16632328 0.82 NR1H2 (0.40) TRPV3NR1H2L3MBTL1NR1H3CHRM2
SCHEMBL16632521 0.81 TRPV3 (0.41) TRPV3TLR9TLR7MAPTMAPK1
SCHEMBL29955354 0.80 TRPV3 (0.50) TRPV3NR1H2TLR9TLR7MRGPRX4
SCHEMBL2790380 0.80 TRPV3 (0.50) TRPV3NR1H2TLR9TLR7MRGPRX4
SCHEMBL12260285 0.80 TRPV3 (0.50) TRPV3NR1H2TLR9TLR7MAPT
SCHEMBL12803883 0.80 TRPV3 (0.52) TRPV3NR1H2PTGER1TLR9TLR7
SCHEMBL914147 0.80 TRPV3 (0.48) TRPV3NR1H2MAPTL3MBTL1MRGPRX4
SCHEMBL17355640 0.79 TRPV3 (0.49) TRPV3NR1H2TLR9TLR7MRGPRX4

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 1253/4885PTGER1 2498/4885

“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.