SCHEMBL4306375

SCHEMBL4306375

CC(C)(C)C(c1ccccc1)c1cc(O)ccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.40
AR P10275 10/20 0.38
PGR P06401 3/20 0.36
NR3C1 P04150 2/20 0.36
ALOX5 P09917 1/20 0.36
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL14536490 0.86 CYP1A2 (0.36) TYRARPGRNR3C1ALOX5
SCHEMBL4312428 0.80 CYP2D6 (0.46) ARPGRMAOAMAOB
SCHEMBL2799339 0.77 TYR (0.46) TYRARPGRNR3C1ESR2
SCHEMBL1979729 0.72 AR (0.42) ARESR2ESR1CYP1A2CYP3A4
SCHEMBL30288156 0.71 ESR1 (0.52) TYRARPGRNR3C1ESR2
SCHEMBL15349640 0.70 ESR1 (0.50) TYRARPGRNR3C1ESR2
SCHEMBL29482323 0.69 CYP2C9 (0.43) TYRPGRNR3C1CYP1A2CYP3A4
SCHEMBL11011848 0.69 GABRA1 (0.48) TYRCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5029899 0.67 RIPK1 (0.43) TSHR
SCHEMBL21718876 0.65 ALDH1A1 (0.50) TYRARESR2ESR1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
EP-1954128-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007056210-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK & CO., INC. (US) 2007-05-18 WO disclosed
WO-2007056210-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK & CO., INC. (US) 2007-05-18 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-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 TYR 3390/4885AR 3994/4885PGR 2586/4885

“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.