SCHEMBL2994401

SCHEMBL2994401

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2cn3cccnc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 0.55
▸ NPC1 O15118 12/20 0.55
▸ KDM4E B2RXH2 11/20 0.55
▸ ALDH1A1 P00352 11/20 0.55
▸ GAA P10253 9/20 0.55
▸ SMN1; SMN2 Q16637 8/20 0.55
▸ GLA P06280 7/20 0.55
▸ POLB P06746 1/20 0.55
▸ MAPT P10636 5/20 0.52
▸ HPGD P15428 10/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ TP53 P04637 3/20 0.46
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 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
SCHEMBL3000545 0.84 SMN1; SMN2 (0.50) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3002189 0.79 ALOX5AP (0.43) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3091208 0.78 TP53 (0.42) KDM4EALDH1A1GAASMN1; SMN2POLB
SCHEMBL2996124 0.77 KMT2A (0.47) RAB9ANPC1KDM4EALDH1A1GAA
SCHEMBL2992051 0.77 PDE10A (0.38) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2997210 0.77 HPGD (0.42) KDM4EALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL3002623 0.77 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL2994531 0.76 ALOX5AP (0.49) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2999919 0.76 CYP1A2 (0.40) KDM4EALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL2990181 0.76 MAPK14 (0.54) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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 RAB9A 4316/4885NPC1 603/4885KDM4E 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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