SCHEMBL5023404

SCHEMBL5023404

CCOC(=O)/C(O)=C\C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
SRD5A2 P31213 1/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CXCL12 P48061 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL5023402 1.00 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2SRD5A2HPGD
SCHEMBL5023406 1.00 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2SRD5A2HPGD
SCHEMBL13883210 0.90 MCL1 (0.41) ALDH1A1SMN1; SMN2MAPT
SCHEMBL8098672 0.84 SMN1; SMN2 (0.48) ALDH1A1TSHRSMN1; SMN2HPGDMAPT
SCHEMBL14390483 0.84 SMN1; SMN2 (0.48) ALDH1A1TSHRSMN1; SMN2HPGDMAPT
SCHEMBL8097035 0.84 TSHR (0.49) TSHRSMN1; SMN2SRD5A2HPGDMAPT
SCHEMBL727067 0.84 TSHR (0.49) TSHRSMN1; SMN2SRD5A2HPGDMAPT
SCHEMBL4818650 0.82 SMN1; SMN2 (0.47) ALDH1A1TSHRSMN1; SMN2HPGDMAPT
SCHEMBL4818645 0.82 SMN1; SMN2 (0.47) ALDH1A1TSHRSMN1; SMN2HPGDMAPT
SCHEMBL934154 0.82 MAPT (0.48) ALDH1A1SMN1; SMN2HPGDMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
US-6048896-A FOR TREATMENT OF BRAIN OR NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 2000-04-11 US disclosed
EP-0858442-A1 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1998-08-19 EP disclosed
WO-1997017316-A1 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG ALDH1A1 799/4885TSHR 145/4885SMN1; SMN2 4244/4885

“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.