SCHEMBL2994348

SCHEMBL2994348

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2cnn(CCO)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.39
▸ SYK P43405 4/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ MAPK14 Q16539 6/20 0.37
▸ SMO Q99835 6/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL3002623 0.88 KDM4E (0.42) ALOX5APADAMTS4SYKAURKBINCENP
SCHEMBL2986838 0.81 MAP4K3 (0.37) ALOX5APADAMTS4SYKAURKBINCENP
SCHEMBL13248437 0.81 MAP4K3 (0.37) ALOX5APADAMTS4SYKAURKBINCENP
SCHEMBL2997210 0.79 HPGD (0.42) ALOX5APADAMTS4SYKAURKBINCENP
SCHEMBL2999919 0.77 CYP1A2 (0.40) ALOX5APADAMTS4PDE10AKDM4EALDH1A1
SCHEMBL3005551 0.77 MAOB (0.47) ALOX5APADAMTS4SYKAURKBINCENP
SCHEMBL2246846 0.76 NPC1 (0.53) ALOX5APADAMTS4SYKAURKBINCENP
SCHEMBL2994531 0.76 ALOX5AP (0.49) ALOX5APADAMTS4SYKAURKBINCENP
SCHEMBL3002189 0.76 ALOX5AP (0.43) ALOX5APADAMTS4SYKAURKBINCENP
SCHEMBL2245019 0.75 NPC1 (0.47) PARP10SMN1; SMN2MAOBCYP1A2CYP3A4

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 1336/4885SYK 3416/4885

“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.

Send feedback