SCHEMBL3002189

SCHEMBL3002189

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2c[nH]nn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.43
▸ HPGD P15428 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.40
▸ SYK P43405 8/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ INCENP Q9NQS7 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ SMO Q99835 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL2997210 0.83 HPGD (0.42) ALOX5APHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2994531 0.83 ALOX5AP (0.49) ALOX5APHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL13902771 0.82 KMT2A (0.53) ALDH1A1CYP19A1NPC1RAB9ACYP2C9
SCHEMBL2246698 0.82 DHODH (0.41) ALOX5APHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2990181 0.82 MAPK14 (0.54) ALOX5APHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL13248546 0.79 PARP10 (0.49) ALOX5APHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL3002623 0.79 KDM4E (0.42) ALOX5APHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL13248543 0.79 DHODH (0.43) ALOX5APHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2994401 0.79 RAB9A (0.55) HPGDKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL2246114 0.77 FFAR1 (0.49) HPGDKDM4EALDH1A1SMN1; 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 15/4885HPGD 223/4885KDM4E 2671/4885

“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.

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