SCHEMBL10098435

SCHEMBL10098435

CC(C)C(C)(c1ccc(-c2ccc(CF)nn2)cc1)c1ccc(O)cn1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.51
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
TRPV3 Q8NET8 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
SCHEMBL707619 0.85 ALOX5AP (0.56) ALOX5APTRPV3
SCHEMBL13262159 0.78 ALOX5AP (0.49) ALOX5AP
SCHEMBL14396912 0.74 ALOX5AP (0.43) ALOX5APESR1ESR2
SCHEMBL14397148 0.74 ALOX5AP (0.43) ALOX5APESR1ESR2
SCHEMBL705390 0.73 ALOX5AP (0.43) ALOX5APESR1ESR2
SCHEMBL708016 0.72 ALOX5AP (0.73) ALOX5AP
SCHEMBL708015 0.72 ALOX5AP (0.73) ALOX5AP
SCHEMBL14397218 0.72 ALOX5AP (0.55) ALOX5APTRPV3
SCHEMBL480207 0.71 ALOX5AP (0.65) ALOX5AP
SCHEMBL480232 0.71 ALOX5AP (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 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-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885ESR1 2752/4885ESR2 940/4885

“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.