SCHEMBL480209

SCHEMBL480209

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(C#N)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.63
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
FFAR1 O14842 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADAMTS4 O75173 1/20 0.40
PARP10 Q53GL7 1/20 0.39
MAOB P27338 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ACACB O00763 1/20 0.37
CYP19A1 P11511 2/20 0.36
CHEK1 O14757 1/20 0.35
SYK P43405 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34

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
SCHEMBL707618 0.95 ALOX5AP (0.62) ALOX5APCYP11B1CYP11B2FFAR1KDM4E
SCHEMBL13248358 0.89 ALOX5AP (0.53) ALOX5APCYP11B1CYP11B2FFAR1KDM4E
SCHEMBL14275821 0.86 ALOX5AP (0.66) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL480305 0.86 ALOX5AP (0.69) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL9924109 0.84 ALOX5AP (0.63) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL13262236 0.83 ALOX5AP (0.66) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL9924098 0.83 ALOX5AP (0.48) ALOX5APCYP11B1CYP11B2FFAR1ALDH1A1
SCHEMBL708956 0.83 ALOX5AP (0.62) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL14397112 0.82 ALOX5AP (0.61) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL9924108 0.80 ALOX5AP (0.59) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP disclosed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 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-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 14/4885CYP11B1 251/4885CYP11B2 294/4885

“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.