SCHEMBL2996124

SCHEMBL2996124

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2cn3c(n2)SCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.47
▸ MAPT P10636 7/20 0.47
▸ MEN1 O00255 7/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ GAA P10253 2/20 0.43
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NSD2 O96028 1/20 0.39

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
SCHEMBL3091208 0.79 TP53 (0.42) MAPTTP53SMN1; SMN2GAAHPGD
SCHEMBL2994401 0.77 RAB9A (0.55) KMT2AMAPTMEN1TP53GLA
SCHEMBL3000545 0.77 SMN1; SMN2 (0.50) MAPTTP53SMN1; SMN2MAPK1HSD17B10
SCHEMBL2992051 0.76 PDE10A (0.38) MAPTSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL3002623 0.76 KDM4E (0.42) KMT2ASMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL2997210 0.74 HPGD (0.42) SMN1; SMN2HPGDKDM4EALDH1A1ADAMTS4
SCHEMBL3002189 0.74 ALOX5AP (0.43) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL2994531 0.74 ALOX5AP (0.49) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL2994348 0.73 ALOX5AP (0.41) KMT2ASMN1; SMN2KDM4EALDH1A1ADAMTS4
SCHEMBL2990181 0.73 MAPK14 (0.54) KMT2AMAPTMEN1SMN1; SMN2NPC1

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 2 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

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 KMT2A 4281/4885MAPT 4788/4885MEN1 4664/4885

“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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