SCHEMBL3002131

SCHEMBL3002131

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.59
ACACB O00763 1/20 0.38
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
ALOX5 P09917 2/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
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
MITF O75030 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DGAT1 O75907 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FFAR1 O14842 1/20 0.30
PPARD Q03181 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
SCHEMBL707622 0.93 ALOX5AP (0.63) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL709308 0.93 ALOX5AP (0.63) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL2999090 0.90 ALOX5AP (0.48) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL3000902 0.86 ALOX5AP (0.43) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL2995111 0.83 ALOX5AP (0.43) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL2997435 0.81 ALOX5AP (0.86) ALOX5APNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2998243 0.81 ALOX5AP (0.41) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL3002980 0.78 APP (0.45) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL2995463 0.77 AOC3 (0.39) ALOX5APACACBMAPTFFAR1PPARD
SCHEMBL706833 0.77 ALOX5AP (0.72) 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 12 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-7786304-B2 Process for the preparation of eszopiclone CENTAUR PHARMACEUTICAL PVT. LTD. (IN) 2010-08-31 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
US-20080146800-A1 Process for the preparation of eszopiclone CENTAUR PHARMACEUTICAL PVT. LTD. (IN) 2008-06-19 US disclosed
EP-0855398-B1 SESQUITERPENE DERIVATIVES HAVING ANTIVIRAL ACTIVITY SHIONOGI & CO (JP) 2003-04-16 EP disclosed
US-5876984-A OBTAINED BY CULTURING MICROORGANISM OF STACHYBOTRYS GENUS SHIONOGI & CO., LTD (JP) 1999-03-02 US disclosed
EP-0855398-A1 SESQUITERPENE DERIVATIVES HAVING ANTIVIRAL ACTIVITY SHIONOGI & CO., LTD. (JP) 1998-07-29 EP 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-20080146800-A1 Process for the preparation of eszopiclone CYP3A5, CYP3A7, CYP51A1 ALOX5AP 377/4885ACACB 3628/4885MMP9 1759/4885
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 15/4885ACACB 1284/4885MMP9 793/4885

“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.