SCHEMBL2998006

SCHEMBL2998006

CC(C)C(C)(c1ccc(I)cc1)c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.55
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
APP P05067 1/20 0.46
PARP10 Q53GL7 1/20 0.45
MAOB P27338 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADAMTS4 O75173 1/20 0.40
MAPK14 Q16539 2/20 0.40
SMO Q99835 2/20 0.40
SYK P43405 4/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
HPGD P15428 1/20 0.39
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL708956 0.88 ALOX5AP (0.62) ALOX5APKDM4EALDH1A1SMN1; SMN2APP
SCHEMBL14642215 0.88 ALOX5AP (0.56) ALOX5APKDM4EALDH1A1SMN1; SMN2PARP10
SCHEMBL3002224 0.86 ALOX5AP (0.59) ALOX5APKDM4EALDH1A1SMN1; SMN2PARP10
SCHEMBL2995588 0.85 APP (0.49) ALOX5APAPP
SCHEMBL2991626 0.85 ALOX5AP (0.61) ALOX5APKDM4EALDH1A1SMN1; SMN2PARP10
SCHEMBL13248358 0.85 ALOX5AP (0.53) ALOX5APKDM4EALDH1A1SMN1; SMN2PARP10
SCHEMBL31688873 0.83 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2APPPARP10
SCHEMBL3000149 0.83 ALOX5AP (0.56) ALOX5APKDM4EALDH1A1SMN1; SMN2PARP10
SCHEMBL3000832 0.83 ALOX5AP (0.56) ALOX5APKDM4EALDH1A1SMN1; SMN2PARP10
SCHEMBL2996699 0.82 ALOX5AP (0.58) ALOX5APKDM4EALDH1A1SMN1; SMN2PARP10

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
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
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US 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 15/4885KDM4E 2671/4885ALDH1A1 159/4885

“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.