SCHEMBL4428955

SCHEMBL4428955

O=CNc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
BCL2L1 Q07817 1/20 0.50
BAD Q92934 1/20 0.50
KDM5A P29375 2/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
ERN1 O75460 1/20 0.47
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 3/20 0.46
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45

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
SCHEMBL1086165 0.94 ALDH1A1 (0.56) ALDH1A1KDM5ATP53TSHRRAB9A
SCHEMBL1086084 0.92 ALDH1A1 (0.54) ALDH1A1KDM5ATP53TSHRRAB9A
SCHEMBL18937760 0.83 TRPA1 (0.58) ALDH1A1KDM5ATP53TSHRRAB9A
SCHEMBL4429931 0.83 TRIM24 (0.59) ALDH1A1KDM5ATRIM24TRIM33ERN1
SCHEMBL1701358 0.80 ALDH1A1 (0.50) ALDH1A1TP53RAB9AKDM4ESMN1; SMN2
SCHEMBL8657107 0.79 ADH5 (0.49) ALDH1A1KDM5ARAB9AKDM4ERXRA
SCHEMBL15453215 0.79 ALDH1A1 (0.52) ALDH1A1KDM5ARAB9AKMT2ASMN1; SMN2
SCHEMBL223423 0.79 ALDH1A1 (0.73) ALDH1A1RAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL14418354 0.79 ALDH1A1 (0.73) ALDH1A1RAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL2637326 0.78 TSHR (0.80) ALDH1A1BCL2L1BADTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 ALDH1A1 2107/4885BCL2L1 4308/4885BAD 3011/4885

“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.