SCHEMBL4492238

SCHEMBL4492238

O=C(c1ccc(OCc2ccccc2)cc1)c1n[nH]c2c(C(F)(F)F)cccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.52
NR1H3 Q13133 4/20 0.52
SRD5A2 P31213 1/20 0.48
NR4A2 P43354 2/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
PLA2G4B P0C869 1/20 0.44
MAOB P27338 3/20 0.43
PARP10 Q53GL7 1/20 0.43
MAOA P21397 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL4493386 0.82 CTNNB1 (0.40) NR1H2NR1H3MAOBALDH1A1HTT
SCHEMBL4484338 0.75 NR1H2 (0.50) NR1H2NR1H3SRD5A2NR4A2NR4A1
SCHEMBL4479259 0.75 HSD17B1 (0.43) ALDH1A1HTTSMN1; SMN2
SCHEMBL4485902 0.74 MAOB (0.47) MAOBALDH1A1SMN1; SMN2
SCHEMBL4492330 0.73 NR1H2 (0.46) NR1H2NR1H3SRD5A2NR4A2NR4A1
SCHEMBL3232949 0.71 SRD5A2 (0.90) SRD5A2NR4A2NR4A1NR4A3PLA2G4B
SCHEMBL1408097 0.71 NR1H2 (0.59) NR1H2NR1H3RXRARXRBRXRG
SCHEMBL16252832 0.70 CTNNB1 (0.44) ALDH1A1HTTSMN1; SMN2
SCHEMBL7764407 0.70 NR4A2 (0.68) SRD5A2NR4A2NR4A1NR4A3PLA2G4B
SCHEMBL402300 0.69 SRD5A2 (0.87) SRD5A2NR4A2NR4A1NR4A3PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522884-B2 Compositions and methods for the treatment of metabolic disorders CELLIX BIO PRIVATE LIMITED (IN) 2016-12-20 US disclosed
US-20150141468-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS MAHESH KANDULA (IN) 2015-05-21 US disclosed
WO-2013167991-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS KANDULA MAHESH (IN) 2013-11-14 WO disclosed
US-7598286-B2 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2009-10-06 US disclosed
WO-2006066806-A1 MANUFACTURE OF VITAMIN B6 DSM IP ASSETS B.V. (NL) 2006-06-29 WO disclosed
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 US disclosed
WO-2006050006-A2 ((1H-INDAZOL-3-YL)METHYL) PHENOLS AND (HYDROXYPHENYL)(1H-INDAZOL-3-YL) METHANONES AS LIGANDS OF THE ESTROGEN RECEPTOR WYETH (US) 2006-05-11 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 (2 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-20150141468-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS GLS, SI, FPGS NR1H2 56/4885NR1H3 58/4885SRD5A2 153/4885
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones PTGS1, NOS3, PTGIS NR1H2 572/4885NR1H3 606/4885SRD5A2 432/4885

“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.