SCHEMBL979119

SCHEMBL979119

OC1(c2ccc(I)cc2)CC2CCC1C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.39
HSD11B1 P28845 2/20 0.38
CXCR3 P49682 2/20 0.33
EPHX2 P34913 1/20 0.33
AR P10275 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PTGS2 P35354 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL18905268 0.83 ALOX5AP (0.39) ALOX5APHSD11B1PTGS2KMT2A
SCHEMBL11893304 0.83 KMT2A (0.47) ALOX5APHSD11B1KCNH2KMT2A
SCHEMBL87608 0.83 HSD11B1 (0.55) ALOX5APHSD11B1PTGS2KMT2A
SCHEMBL3582800 0.82 ALOX5AP (0.51) ALOX5APHSD11B1PTGS2KMT2A
SCHEMBL12948046 0.79 HSD11B1 (0.39) ALOX5APHSD11B1
SCHEMBL18905475 0.76 ALOX5AP (0.38) ALOX5APHSD11B1PTGS2
SCHEMBL18910945 0.76 ALOX5AP (0.38) ALOX5APHSD11B1PTGS2KMT2A
SCHEMBL19901092 0.76 ALOX5AP (0.36) ALOX5APHSD11B1
SCHEMBL12920588 0.76 ALOX5AP (0.56) ALOX5APHSD11B1
SCHEMBL12920590 0.76 ALOX5AP (0.56) ALOX5APHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
WO-2009048547-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. (US) 2009-04-16 WO 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 47/4885HSD11B1 252/4885CXCR3 249/4885

“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.