SCHEMBL13248365

SCHEMBL13248365

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnn(CC(=O)O)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ MAOB P27338 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ ADAMTS4 O75173 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL13248366 0.90 NPSR1 (0.45) MEN1KMT2AKDM4EPOLBCTDSP1
SCHEMBL2245019 0.88 NPC1 (0.47) KMT2ATDP1SMN1; SMN2MAOBNPC1
SCHEMBL2996834 0.87 ADAMTS4 (0.46) MEN1KMT2AKDM4ESMN1; SMN2MAOB
SCHEMBL2246846 0.84 NPC1 (0.53) KDM4ETDP1SMN1; SMN2MAOBNPC1
SCHEMBL13248369 0.83 KDM4C (0.47) MAOBADAMTS4PARP10
SCHEMBL5660242 0.80 YAP1 (0.42) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL2251349 0.80 PARP10 (0.57) KDM4ESMN1; SMN2MAOBADAMTS4PARP10
SCHEMBL2246968 0.80 NPC1 (0.41) TDP1SMN1; SMN2MAOBNPC1LMNA
SCHEMBL5660237 0.80 ALOX5 (0.36) MEN1KMT2AKDM4EPOLBCTDSP1
SCHEMBL2246935 0.78 NPC1 (0.39) TDP1SMN1; SMN2MAOBNPC1LMNA

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
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
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 MEN1 4664/4885KMT2A 4281/4885KDM4E 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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