SCHEMBL2997218

SCHEMBL2997218

CC(C)C(C)(c1ccc(OCc2ncccn2)cc1)c1ccc(-c2ccc(C(F)(F)F)nn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.55
ADAMTS4 O75173 6/20 0.35
MMP13 P45452 5/20 0.35
DGAT1 O75907 1/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
PPARD Q03181 2/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
PKM P14618 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MITF O75030 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL2993422 0.89 ALOX5AP (0.70) ALOX5APADAMTS4MMP13MAPTNPC1
SCHEMBL2999090 0.84 ALOX5AP (0.48) ALOX5APADAMTS4MMP13DGAT1MAPT
SCHEMBL706833 0.82 ALOX5AP (0.72) ALOX5APADAMTS4
SCHEMBL706834 0.82 ALOX5AP (0.72) ALOX5APADAMTS4
SCHEMBL2997435 0.78 ALOX5AP (0.86) ALOX5APADAMTS4MAPTNPC1RAB9A
SCHEMBL710361 0.77 ALOX5AP (0.58) ALOX5APADAMTS4MMP13DGAT1PPARD
SCHEMBL3000899 0.76 ALOX5AP (0.65) ALOX5APADAMTS4MAPTNPC1RAB9A
SCHEMBL2990300 0.76 KIF11 (0.48) ALOX5APDGAT1NPC1ALDH1A1
SCHEMBL2995588 0.75 APP (0.49) ALOX5APRAB9AL3MBTL1
SCHEMBL3626552 0.74 ALOX5AP (0.66) ALOX5APADAMTS4MAPTNPC1RAB9A

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
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
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

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 15/4885ADAMTS4 1336/4885MMP13 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.