SCHEMBL16632752

SCHEMBL16632752

COc1ccccc1Oc1cc(C)cc2oc(C#N)cc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.45
GPR55 Q9Y2T6 1/20 0.43
AR P10275 5/20 0.43
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL16632621 0.88 AR (0.40) CNR2GPR55AR
SCHEMBL806615 0.86 CNR2 (0.45) CNR2GPR55CYP2A6ALDH1A1L3MBTL1
SCHEMBL16632531 0.86 SLC6A4 (0.42) ARCYP2A6SMN1; SMN2ALDH1A1MAPK1
SCHEMBL16632622 0.86 CNR2 (0.45) CNR2GPR55ARCYP2A6ALDH1A1
SCHEMBL16632984 0.85 CYP2A6 (0.45) CNR2ARCYP2A6SMN1; SMN2ALDH1A1
SCHEMBL16632749 0.78 MAPT (0.36) CNR2ARALDH1A1L3MBTL1KDM4E
SCHEMBL5584528 0.77 CYP2A6 (0.50) CNR2GPR55CYP2A6SMN1; SMN2ALDH1A1
SCHEMBL16632454 0.74 AR (0.41) CNR2ARCYP2A6L3MBTL1
SCHEMBL16632723 0.73 SLC6A4 (0.49) ARALDH1A1MAPK1HTTHSD17B10
SCHEMBL16632567 0.70 CYP2A6 (0.38) CNR2ARCYP2A6HPGD

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 CNR2 4118/4885GPR55 2573/4885AR 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.