SCHEMBL4230149

SCHEMBL4230149

O=C(CCl)NC(CO)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
PPARA Q07869 2/20 0.51
GPR34 Q9UPC5 4/20 0.51
LPAR1 Q92633 2/20 0.51
LPAR3 Q9UBY5 2/20 0.51
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
LTA4H P09960 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
NCOA1 Q15788 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49

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
SCHEMBL14423625 0.90 ECE1 (0.56) PPARGPPARAGPR34LPAR1LPAR3
SCHEMBL4924172 0.87 PPARG (0.56) PPARGPPARAGPR34FFAR1FFAR4
SCHEMBL1177696 0.87 ALDH1A1 (0.62) KMT2AMMEACEALDH1A1HTT
SCHEMBL12714246 0.86 FFAR1 (0.63) PPARGPPARAGPR34LPAR1LPAR3
SCHEMBL17931616 0.84 NPC1 (0.58) PPARGPPARAFFAR1FFAR4MME
SCHEMBL9484576 0.84 CTRB1 (0.64) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL7301416 0.84 CTRB1 (0.64) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL8246771 0.81 ACACB (0.50) LPAR1LPAR3ALDH1A1SMN1; SMN2
SCHEMBL4774975 0.80 LDHA (0.50) KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL16766937 0.80 LDHA (0.50) KMT2AALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 US disclosed
US-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 US disclosed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO disclosed
WO-2006126074-A2 HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2006-11-30 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-20080267888-A1 Heterocyclic Derivatives CYP11B2, MAPT, UGT1A1 PPARG 2859/4885PPARA 4264/4885GPR34 1366/4885
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers UGT2B7, CYP4B1, CYP1B1 PPARG 90/4885PPARA 238/4885GPR34 256/4885

“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.