SCHEMBL598579

SCHEMBL598579

C=CCC(C(=O)O)c1ccccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.64
TSHR P16473 3/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HPGD P15428 3/20 0.37
CYP1A2 P05177 1/20 0.36
AKR1B1 P15121 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CA12 O43570 1/20 0.34
HMGB1 P09429 1/20 0.34
CA6 P23280 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
SCHEMBL1908317 0.81 CYP2C19 (0.62) CYP2C19TSHRCYP1A2ALDH1A1MEN1
SCHEMBL29962195 0.81 CYP2C19 (0.62) CYP2C19TSHRCYP1A2POLBALDH1A1
SCHEMBL10952808 0.80 CYP2C19 (0.60) CYP2C19TSHRGABRA1GABRB2CYP1A2
SCHEMBL10627436 0.80 TSHR (0.45) CYP2C19TSHRGABRA1GABRB2HPGD
SCHEMBL11497859 0.79 CYP2C19 (0.58) CYP2C19HPGDCYP1A2ALDH1A1KDM4E
SCHEMBL1458050 0.78 CYP2C19 (1.00) CYP2C19POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL666893 0.78 CYP2C19 (1.00) CYP2C19POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL1458057 0.78 CYP2C19 (1.00) CYP2C19POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL17079985 0.78 CYP2C19 (0.57) CYP2C19TSHRCYP1A2POLBNFKB1
SCHEMBL4071095 0.77 TSHR (0.57) TSHRGABRA1GABRB2HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755572-B1 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2012-02-15 EP disclosed
US-7763659-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-27 US disclosed
US-7629367-B2 Tissue-selective androgen receptor modulators (SARMs); male hypogonadism, prostate cancer, benign prostate hyperplasia, sarcopenia, rheumatoid arthritis and osteoarthritis; N-((5-cyclopropyl-2-fluoropyridin-3-yl)methyl)-2-phenylbutanamide for example MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-06-12 US disclosed
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2007-09-27 US disclosed
US-7268153-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO., INC. (US) 2007-09-11 US disclosed
EP-1755572-A2 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005120477-A2 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-12-22 WO disclosed
US-20050277681-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-12-15 US disclosed
US-5206403-A Diphenylethylene derivatives, pharmaceutical compositions containing same and treatment methods EISAI CO., LTD. (JP) 1993-04-27 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 (3 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-20050277681-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 CYP2C19 1174/4885TSHR 978/4885GABRA1 1166/4885
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 CYP2C19 1174/4885TSHR 978/4885GABRA1 1166/4885
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 CYP2C19 1104/4885TSHR 1059/4885GABRA1 1148/4885

“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.