SCHEMBL2999090

SCHEMBL2999090

CC(C)C(C)(c1ccc(OCc2nccs2)cc1)c1ccc(-c2ccc(C(F)(F)F)nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.48
ACACB O00763 1/20 0.36
MMP13 P45452 3/20 0.34
MMP9 P14780 1/20 0.34
ADAM17 P78536 1/20 0.34
PTGS2 P35354 2/20 0.34
FFAR1 O14842 1/20 0.34
PPARD Q03181 4/20 0.33
DGAT1 O75907 1/20 0.32
NPC1 O15118 2/20 0.32
PKM P14618 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MITF O75030 1/20 0.32
SCN9A Q15858 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ADAMTS4 O75173 2/20 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
SCHEMBL3002131 0.90 ALOX5AP (0.59) ALOX5APACACBMMP13MMP9ADAM17
SCHEMBL3000902 0.86 ALOX5AP (0.43) ALOX5APACACBMMP13MMP9ADAM17
SCHEMBL2997218 0.84 ALOX5AP (0.55) ALOX5APMMP13PPARDDGAT1NPC1
SCHEMBL709308 0.83 ALOX5AP (0.63) ALOX5APACACBMMP13MMP9ADAM17
SCHEMBL707622 0.83 ALOX5AP (0.63) ALOX5APACACBMMP13MMP9ADAM17
SCHEMBL2993422 0.81 ALOX5AP (0.70) ALOX5APMMP13NPC1RAB9ASMN1; SMN2
SCHEMBL2995111 0.81 ALOX5AP (0.43) ALOX5APACACBMMP13MMP9ADAM17
SCHEMBL3002980 0.78 APP (0.45) ALOX5APACACBMMP13MMP9ADAM17
SCHEMBL2990099 0.76 NPC1 (0.45) ALOX5APACACBNPC1RAB9ASMN1; SMN2
SCHEMBL3000188 0.76 ACACB (0.46) ALOX5APACACBFFAR1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US claimed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP claimed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO claimed
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 15/4885ACACB 1284/4885MMP13 1218/4885

“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.