SCHEMBL4921322

SCHEMBL4921322

CCc1oc(-c2cccc(OC)c2)nc1COCCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 9/20 0.47
PPARD Q03181 6/20 0.47
ESR1 P03372 2/20 0.46
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
RXRA P19793 2/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
ESR2 Q92731 2/20 0.46
KDM4E B2RXH2 4/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL4928637 0.83 CYP1A2 (0.41) PPARDPPARGPPARAKDM4ESMN1; SMN2
SCHEMBL1050214 0.83 KDM4E (0.48) VDRPPARDESR1THRATHRB
SCHEMBL5182057 0.80 SLC16A3 (0.42) VDRPPARDESR1THRATHRB
SCHEMBL4928762 0.77 PPARG (0.43) PPARDPPARGPPARAKDM4ERAB9A
SCHEMBL3730506 0.77 RAB9A (0.48) VDRKDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL13114663 0.76 VDR (0.49) VDRPPARDESR1THRATHRB
SCHEMBL4921319 0.75 RAB9A (0.45) VDRPPARDESR1THRATHRB
SCHEMBL2329392 0.75 ALDH1A1 (0.61) KDM4ERAB9ASMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL3727637 0.74 ALDH1A1 (0.60) THRBKDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL4386900 0.73 SLC16A3 (0.44) VDRPPARDESR1THRATHRB

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-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-17 US disclosed
US-7259177-B2 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-21 US disclosed
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-05-12 US 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-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, ACADM VDR 1124/4885PPARD 132/4885ESR1 3851/4885
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, PC, CPT1A VDR 1079/4885PPARD 145/4885ESR1 3779/4885

“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.