SCHEMBL3750003

SCHEMBL3750003

CCOc1ccc(-c2ccc(C(=O)O)cc2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.61
RXRB P28702 1/20 0.61
HCRTR1 O43613 1/20 0.60
HCRTR2 O43614 1/20 0.60
PTPN11 Q06124 1/20 0.55
SRD5A2 P31213 2/20 0.55
PLA2G4B P0C869 1/20 0.55
RARB P10826 5/20 0.52
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48
MAP4K4 O95819 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
ADH5 P11766 1/20 0.46
PPARD Q03181 1/20 0.46

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
SCHEMBL12432162 0.91 HCRTR1 (0.60) RXRARXRBHCRTR1HCRTR2PTPN11
SCHEMBL7169585 0.85 PTPN11 (0.77) PTPN11PLA2G4BRARB
SCHEMBL5599370 0.84 NQO1 (0.54) HCRTR1HCRTR2SMN1; SMN2MAPTFFAR1
SCHEMBL3750017 0.84 SRD5A2 (0.60) RXRARXRBHCRTR1HCRTR2PTPN11
SCHEMBL9394698 0.83 NR4A2 (0.64) RXRARXRBSRD5A2PLA2G4BSMN1; SMN2
SCHEMBL23602940 0.82 HSD17B1 (0.55) HCRTR1HCRTR2PLA2G4BRARBSMN1; SMN2
SCHEMBL2228731 0.82 HCRTR1 (0.56) RXRARXRBHCRTR1HCRTR2PTPN11
SCHEMBL29997664 0.82 HSD17B1 (0.55) HCRTR1HCRTR2PLA2G4BRARBSMN1; SMN2
SCHEMBL202683 0.81 PLA2G4B (0.74) RXRARXRBHCRTR1HCRTR2SRD5A2
SCHEMBL28656189 0.81 HSD17B10 (0.66) HCRTR1HCRTR2SRD5A2RARBADH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R RXRA 510/4885RXRB 496/4885HCRTR1 9/4885

“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.