SCHEMBL9924094

SCHEMBL9924094

CC(C)C(C)(c1ccc(I)cc1)c1ccc(OCc2nccs2)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.41
APP P05067 1/20 0.37
ACACB O00763 1/20 0.37
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
ALOX5 P09917 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
SCHEMBL14396684 0.90 ALOX5AP (0.41) ALOX5APACACBLMNAPOLBRAB9A
SCHEMBL3002980 0.89 APP (0.45) ALOX5APAPPACACBLMNAPOLB
SCHEMBL9924099 0.86 ACACB (0.41) ALOX5APACACBLMNAPOLBRAB9A
SCHEMBL2798446 0.83 ACACB (0.42) ALOX5APACACBLMNAPOLBRAB9A
SCHEMBL708933 0.82 ALOX5AP (0.48) ALOX5APAPPLMNAPOLBRAB9A
SCHEMBL707622 0.81 ALOX5AP (0.63) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL709308 0.81 ALOX5AP (0.63) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL9924120 0.80 ALOX5AP (0.46) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL9924138 0.79 ALOX5AP (0.38) ALOX5APACACB
SCHEMBL708956 0.79 ALOX5AP (0.62) ALOX5APAPPRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013174-B1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME (US) 2013-05-08 EP disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
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
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 (2 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-20120149674-A1 Diaryl Substituted Alkanes ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885APP 621/4885ACACB 578/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885APP 621/4885ACACB 578/4885

“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.