SCHEMBL4427602

SCHEMBL4427602

CCOC(=O)/C=C/c1cccc(/C=C/C(=O)OCC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.69
DPP4 P27487 1/20 0.69
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA7 P43166 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
MAOB P27338 1/20 0.61
CYP3A4 P08684 1/20 0.60
FDPS P14324 1/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALOX5 P09917 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
PTGS2 P35354 1/20 0.55
ALDH1A1 P00352 3/20 0.54

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
SCHEMBL4427604 1.00 TTR (0.69) TTRDPP4CA12CA1CA2
SCHEMBL1578505 0.94 KDM4E (0.64) TTRDPP4CA12CA1CA2
SCHEMBL27792939 0.94 KDM4E (0.64) TTRDPP4CA12CA1CA2
SCHEMBL1579811 0.94 TTR (0.61) TTRDPP4CA12CA1CA2
SCHEMBL1578506 0.94 KDM4E (0.64) TTRDPP4CA12CA1CA2
SCHEMBL27934208 0.94 TTR (0.61) TTRDPP4CA12CA1CA2
SCHEMBL14299070 0.92 TTR (0.60) TTRDPP4CA12CA1CA2
SCHEMBL3752885 0.92 CA12 (0.69) TTRDPP4CA12CA1CA2
SCHEMBL1269502 0.92 TTR (0.63) TTRDPP4CA12CA1CA2
SCHEMBL1269501 0.92 TTR (0.63) TTRDPP4CA12CA1CA2

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-20100119424-A1 CATALYST ALMQUEST AB (SE) 2010-05-13 US disclosed
US-7557126-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-07-07 US disclosed
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-11-01 US disclosed
US-7250414-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2007-07-31 US disclosed
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 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-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 TTR 3671/4885DPP4 2062/4885CA12 3965/4885
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 TTR 3671/4885DPP4 2062/4885CA12 3965/4885

“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.