SCHEMBL16632686

SCHEMBL16632686

Cc1cc(Oc2ccccc2O)c2cc(C#N)n(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.36
NR1H3 Q13133 2/20 0.35
AR P10275 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TBXA2R P21731 1/20 0.32
CSF1R P07333 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
BCAT2 O15382 1/20 0.31
BCAT1 P54687 1/20 0.31
TERT O14746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16632508 0.90 NR1H2 (0.36) NR1H2NR1H3ARMEN1KMT2A
SCHEMBL16632645 0.89 NR1H2 (0.40) NR1H2NR1H3ARCHRM2CHRM4
SCHEMBL16632472 0.85 TRPV3 (0.39) NR1H2NR1H3CSF1R
SCHEMBL16632608 0.75 TRPV3 (0.40) NR1H2NR1H3
SCHEMBL16632328 0.75 NR1H2 (0.40) NR1H2NR1H3CHRM2CHRM4CHRM1
SCHEMBL16644668 0.74 NR1H2 (0.35) NR1H2NR1H3MEN1KMT2ATERT
SCHEMBL16632441 0.73 TRPV3 (0.45) NR1H2NR1H3CHRM2CHRM4CHRM1
SCHEMBL5677101 0.71 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL16632776 0.70 ACLY (0.39) NR1H2MEN1KMT2ATERTL3MBTL1
SCHEMBL16031735 0.69 NR1H2 (0.43) NR1H2NR1H3

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 NR1H2 1253/4885NR1H3 938/4885AR 3070/4885

“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.