SCHEMBL2991273

SCHEMBL2991273

COC(=O)c1ccc(C(C)(c2ccc(-c3cccnc3)cc2)C(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.57
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
SLC2A1 P11166 1/20 0.57
MKNK1 Q9BUB5 4/20 0.54
MKNK2 Q9HBH9 4/20 0.54
LMNA P02545 2/20 0.50
KIF11 P52732 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NR4A2 P43354 2/20 0.44
DEGS1 O15121 1/20 0.44
MAP3K5 Q99683 1/20 0.43
ABCB1 P08183 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
NAMPT P43490 1/20 0.43
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL2345607 0.85 CYP19A1 (0.74) CYP19A1CYP11B1CYP11B2SLC2A1MKNK1
SCHEMBL3000715 0.81 ALOX5AP (0.57) CYP19A1CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL14082483 0.76 MKNK1 (0.70) CYP19A1CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL2253360 0.76 CA1 (0.65) LMNAALDH1A1GAA
SCHEMBL13188366 0.75 CYP11B1 (0.67) CYP19A1CYP11B1CYP11B2SLC2A1MKNK1
SCHEMBL14527404 0.74 KIF11 (0.71) MKNK1MKNK2LMNAKIF11SMN1; SMN2
SCHEMBL12251075 0.73 MKNK1 (0.70) CYP19A1CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL10168702 0.73 CYP19A1 (0.64) CYP19A1CYP11B1CYP11B2SLC2A1MKNK1
SCHEMBL10028698 0.73 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2SLC2A1MKNK1
SCHEMBL3511516 0.73 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2SLC2A1MKNK1

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.