SCHEMBL16632608

SCHEMBL16632608

CC(C)(C)OC(=O)n1c(C#N)cc2c(Oc3ccccc3OCc3ccccc3)cc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.40
PTGER1 P34995 3/20 0.37
NR1H2 P55055 2/20 0.37
CYP2C9 P11712 1/20 0.37
TLR9 Q9NR96 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
NR1H3 Q13133 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
SCN9A Q15858 1/20 0.35
MDM2 Q00987 2/20 0.35
XDH P47989 1/20 0.35
HMGCR P04035 1/20 0.35
ACLY P53396 1/20 0.34

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
SCHEMBL16632472 0.91 TRPV3 (0.39) TRPV3PTGER1NR1H2CYP2C9TLR9
SCHEMBL16632441 0.90 TRPV3 (0.45) TRPV3NR1H2TLR9TLR7NR1H3
SCHEMBL16632508 0.85 NR1H2 (0.36) NR1H2NR1H3MDM2
SCHEMBL16632578 0.76 TRPV3 (0.47) TRPV3PTGER1NR1H2CYP2C9TLR9
SCHEMBL16632686 0.75 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL16632645 0.74 NR1H2 (0.40) TRPV3NR1H2NR1H3
SCHEMBL16632914 0.72 PTGER1 (0.45) TRPV3PTGER1CYP2C9MRGPRX4
SCHEMBL27683747 0.71 EDNRA (0.41) TRPV3PTGER1NR1H2NR1H3MRGPRX4
SCHEMBL16632576 0.70 NR1H2 (0.41) TRPV3PTGER1NR1H2CYP2C9TLR9
SCHEMBL16632521 0.70 TRPV3 (0.41) TRPV3TLR9TLR7MRGPRX4

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 4220/4885PTGER1 2498/4885NR1H2 1253/4885

“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.