SCHEMBL3000902

SCHEMBL3000902

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.43
ACACB O00763 1/20 0.37
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
PKM P14618 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MITF O75030 1/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
ALOX5 P09917 3/20 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
SCHEMBL2999090 0.86 ALOX5AP (0.48) ALOX5APACACBRAB9ANPC1PKM
SCHEMBL3002131 0.86 ALOX5AP (0.59) ALOX5APACACBRAB9ANPC1PKM
SCHEMBL2995111 0.83 ALOX5AP (0.43) ALOX5APACACBRAB9ANPC1SMN1; SMN2
SCHEMBL3000709 0.80 ALOX5AP (0.65) ALOX5APRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3002980 0.79 APP (0.45) ALOX5APACACBRAB9AL3MBTL1POLB
SCHEMBL709308 0.79 ALOX5AP (0.63) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL707622 0.79 ALOX5AP (0.63) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL3000188 0.77 ACACB (0.46) ALOX5APACACBRAB9AALDH1A1ALOX5
SCHEMBL2995628 0.77 NPC1 (0.46) ALOX5APACACBRAB9ANPC1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL2997486 0.77 ACACB (0.37) ALOX5APACACBCYSLTR2CYSLTR1MMP9

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 15/4885ACACB 1284/4885RAB9A 4316/4885

“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.