SCHEMBL2990174

SCHEMBL2990174

CC(C)C(c1ccc(C#N)cc1)c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.52
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
FFAR1 O14842 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 2/20 0.46
PARP10 Q53GL7 1/20 0.45
ADAMTS4 O75173 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
SCHEMBL1680670 0.86 KDM4E (0.59) CYP19A1CYP11B1CYP11B2FFAR1KDM4E
SCHEMBL30689371 0.86 KDM4E (0.59) CYP19A1CYP11B1CYP11B2FFAR1KDM4E
SCHEMBL2246114 0.86 FFAR1 (0.49) CYP19A1CYP11B1CYP11B2FFAR1KDM4E
SCHEMBL12356711 0.83 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2MAOBPARP10
SCHEMBL3626120 0.82 MAOB (0.54) CYP19A1CYP11B1CYP11B2FFAR1KDM4E
SCHEMBL13248358 0.80 ALOX5AP (0.53) CYP19A1CYP11B1CYP11B2FFAR1KDM4E
SCHEMBL9924105 0.79 FFAR1 (0.46) CYP19A1CYP11B1CYP11B2FFAR1KDM4E
SCHEMBL16638704 0.79 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MAOBPARP10
SCHEMBL2795215 0.78 CYP11B1 (0.43) CYP19A1CYP11B1CYP11B2FFAR1KDM4E
SCHEMBL14009817 0.77 ALDH1A1 (0.42) FFAR1KDM4EALDH1A1SMN1; SMN2MAOB

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 4 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
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP 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 CYP19A1 835/4885CYP11B1 237/4885CYP11B2 290/4885

“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.