SCHEMBL977336

SCHEMBL977336

c1csc(COc2ccc([C@]3(c4ccc(-c5nn[nH]n5)cc4)C[C@@H]4CC[C@H]3C4)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.47
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
XDH P47989 1/20 0.41
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TBXAS1 P24557 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL977335 1.00 ALOX5AP (0.47) ALOX5APCYSLTR2CYSLTR1ALDH1A1TP53
SCHEMBL975262 0.87 ALOX5AP (0.52) ALOX5AP
SCHEMBL975261 0.87 ALOX5AP (0.52) ALOX5AP
SCHEMBL976624 0.82 ALOX5AP (0.48) ALOX5AP
SCHEMBL976622 0.82 ALOX5AP (0.48) ALOX5AP
SCHEMBL12948098 0.82 ALOX5AP (0.52) ALOX5AP
SCHEMBL976094 0.82 ALOX5AP (0.50) ALOX5AP
SCHEMBL976095 0.82 ALOX5AP (0.50) ALOX5AP
SCHEMBL12920607 0.81 ALOX5AP (0.51) ALOX5AP
SCHEMBL12920683 0.80 ALOX5AP (0.47) ALOX5AP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S ALOX5AP 47/4885CYSLTR2 19/4885CYSLTR1 16/4885

“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.