SCHEMBL13248543

SCHEMBL13248543

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnc(N)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ SYK P43405 5/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ MAPK14 Q16539 5/20 0.37
▸ SMO Q99835 5/20 0.37
▸ MAOA P21397 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 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
SCHEMBL2246698 0.82 DHODH (0.41) DHODHPDE10APARP10ALOX5APHPGD
SCHEMBL13248546 0.82 PARP10 (0.49) PARP10ALOX5APHPGDKDM4EALDH1A1
SCHEMBL2990587 0.80 ALDH1A1 (0.53) DHODHPDE10AALDH1A1
SCHEMBL2990181 0.80 MAPK14 (0.54) PDE10APARP10ALOX5APHPGDKDM4E
SCHEMBL2245993 0.79 KDM4E (0.50) PARP10ALOX5APHPGDKDM4EALDH1A1
SCHEMBL2993222 0.79 MGAM (0.56) PARP10ALOX5APHPGDKDM4EALDH1A1
SCHEMBL3002189 0.79 ALOX5AP (0.43) DHODHPDE10APARP10ALOX5APHPGD
SCHEMBL13902771 0.78 KMT2A (0.53) ALDH1A1CYP2C9
SCHEMBL2997210 0.78 HPGD (0.42) DHODHPDE10APARP10ALOX5APHPGD
SCHEMBL2994531 0.77 ALOX5AP (0.49) PDE10APARP10ALOX5APHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DHODH 815/4885PDE10A 1312/4885PARP10 1048/4885

“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