SCHEMBL3756895

SCHEMBL3756895

CC(C)Oc1ccc(-c2ccc(C(=O)O)cc2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
RXRA P19793 1/20 0.58
RXRB P28702 1/20 0.58
SRD5A2 P31213 3/20 0.58
PRKAB2 O43741 2/20 0.53
PRKAG1 P54619 2/20 0.53
PRKAA2 P54646 2/20 0.53
PRKAA1 Q13131 2/20 0.53
PRKAG3 Q9UGI9 2/20 0.53
PRKAG2 Q9UGJ0 2/20 0.53
PRKAB1 Q9Y478 2/20 0.53
ALDH1A1 P00352 2/20 0.47
FFAR4 Q5NUL3 2/20 0.46
ADH5 P11766 2/20 0.46
BTK Q06187 1/20 0.46
PARP10 Q53GL7 1/20 0.45
MCL1 Q07820 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 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
SCHEMBL3748314 0.86 EGFR (0.48) KMT2ARXRARXRBSRD5A2PRKAB2
SCHEMBL2037708 0.85 SRD5A2 (0.59) KMT2ARXRASRD5A2PRKAB2PRKAG1
SCHEMBL29788004 0.85 SRD5A2 (0.59) KMT2ARXRASRD5A2PRKAB2PRKAG1
SCHEMBL3750017 0.81 SRD5A2 (0.60) RXRARXRBSRD5A2PRKAB2PRKAG1
SCHEMBL5849106 0.81 KMT2A (0.89) KMT2ARXRARXRBSRD5A2ALDH1A1
SCHEMBL6253145 0.79 SRD5A2 (0.72) RXRARXRBSRD5A2ADH5KDM4E
SCHEMBL503642 0.79 KMT2A (1.00) KMT2ARXRARXRBSRD5A2ALDH1A1
SCHEMBL3748740 0.78 SRD5A2 (0.55) SRD5A2ALDH1A1FFAR4ADH5HSD17B10
Hydrochloric Acid SCHEMBL9812960 0.77 SRD5A2 (0.70) RXRARXRBSRD5A2ADH5KDM4E
Ethane SCHEMBL27686450 0.77 KMT2A (0.96) KMT2ARXRARXRBSRD5A2ALDH1A1

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
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-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-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
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 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
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R KMT2A 1012/4885RXRA 510/4885RXRB 496/4885

“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.