SCHEMBL1993886

SCHEMBL1993886

CCOC(=O)c1cccc(-c2cccc(CBr)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.56
CYP4A11 Q02928 3/20 0.56
MEP1B Q16820 1/20 0.55
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
GALR1 P47211 1/20 0.50

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
SCHEMBL4508966 0.91 CYP4F2 (0.66) CYP4F2CYP4A11MEP1BNPC1ALDH1A1
SCHEMBL5863216 0.90 NPC1 (0.51) CYP4F2CYP4A11NPC1ALDH1A1MAPT
SCHEMBL4726691 0.90 BCL2 (0.56) CYP4F2CYP4A11MEP1BSMN1; SMN2
SCHEMBL29617015 0.87 TP53 (0.62) CYP4F2CYP4A11NPC1ALDH1A1MAPT
SCHEMBL1996600 0.87 CYP4F2 (0.61) CYP4F2CYP4A11NPC1ALDH1A1MAPT
SCHEMBL4193217 0.86 TP53 (0.61) CYP4F2CYP4A11TP53POLBHPGD
SCHEMBL4447431 0.85 LOXL2 (0.59) CYP4F2CYP4A11NPC1ALDH1A1MAPT
SCHEMBL30506526 0.85 CYP4F2 (0.66) CYP4F2CYP4A11
SCHEMBL17164349 0.85 CYP4F2 (0.66) CYP4F2CYP4A11
SCHEMBL5114415 0.85 TP53 (0.49) CYP4F2CYP4A11MEP1BNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960417-B2 Such as 1-(2,2-dimethylpropyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)phenoxy]butoxy}-1H-indole; neurological and psychiatric disorders MERCK SHARP & DOHME CORP. (US) 2011-06-14 US disclosed
US-20080312286-A1 Indanone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-12-18 US disclosed
US-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors MERCK SHARP & DOHME CORP. 2008-07-24 US disclosed
EP-1855670-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
EP-1773792-A1 INDANONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
WO-2006091496-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-08-31 WO disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US disclosed
WO-2006015158-A1 INDANONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP disclosed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 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 (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-20080312286-A1 Indanone Potentiators of Metabotropic Glutamate Receptors GRM2, GRIK2, GRM1 CYP4F2 2104/4885CYP4A11 3133/4885MEP1B 2719/4885
US-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors GRM2, GRM3, GRIK2 CYP4F2 1824/4885CYP4A11 3665/4885MEP1B 2242/4885
US-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R CYP4F2 3158/4885CYP4A11 1583/4885MEP1B 1043/4885

“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.