SCHEMBL16632622

SCHEMBL16632622

Cc1cc(Oc2ccccc2O)c2cc(C#N)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.45
CYP2A6 P11509 1/20 0.38
AR P10275 4/20 0.36
GPR55 Q9Y2T6 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
APEX1 P27695 1/20 0.33
MPI P34949 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32

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
SCHEMBL16632749 0.86 MAPT (0.36) CNR2ARALDH1A1KDM4EMAPT
SCHEMBL16632752 0.86 CNR2 (0.45) CNR2CYP2A6ARGPR55ALDH1A1
SCHEMBL16632567 0.85 CYP2A6 (0.38) CNR2CYP2A6ARMAPTPOLB
SCHEMBL16632479 0.84 CYP2A6 (0.45) CNR2CYP2A6ARKDM4EMAPT
SCHEMBL16632621 0.77 AR (0.40) CNR2ARGPR55
SCHEMBL806615 0.76 CNR2 (0.45) CNR2CYP2A6GPR55ALDH1A1KDM4E
SCHEMBL16632531 0.72 SLC6A4 (0.42) CYP2A6ARALDH1A1KDM4EMAPT
SCHEMBL16632742 0.72 CYP2A6 (0.38) CYP2A6ARKDM4EMAPTPOLB
SCHEMBL16632556 0.71 TTR (0.46) CYP2A6MAPTKMT2AHPGD
SCHEMBL16632984 0.70 CYP2A6 (0.45) CNR2CYP2A6ARALDH1A1KDM4E

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 4118/4885CYP2A6 785/4885AR 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.