SCHEMBL5167967

SCHEMBL5167967

C=Cc1ccc(C(=O)OC)cc1OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 4/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
XDH P47989 1/20 0.42
ALOX15 P16050 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 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
SCHEMBL340328 0.88 MAPT (0.44) MAPTALDH1A1KDM4EKMT2ACA12
SCHEMBL5145077 0.85 KMT2A (0.49) ALDH1A1KDM4EKMT2ACA12CA1
SCHEMBL16533324 0.84 MAPT (0.61) MAPTALDH1A1KDM4EKMT2ACA12
SCHEMBL5145663 0.84 PDK1 (0.38) MAPTALDH1A1KMT2AMAPK1BCL2L1
Hydrochloric Acid SCHEMBL5145668 0.84 KMT2A (0.47) ALDH1A1KDM4EKMT2ACA12CA1
SCHEMBL5143539 0.80 BCL2L1 (0.53) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL24425908 0.80 MAPT (0.50) MAPTALDH1A1KDM4EKMT2ACA12
SCHEMBL2827824 0.78 NOTUM (0.56) MAPTALDH1A1KDM4EKMT2ACA12
SCHEMBL6568018 0.78 MAPT (0.66) MAPTALDH1A1KDM4EKMT2ACA12
SCHEMBL28663604 0.78 MAPT (0.66) MAPTALDH1A1KDM4EKMT2ACA12

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-20070123592-A1 Terephthalamide peptidomimetic compounds and methods YALE UNIVERSITY (US) 2007-05-31 US disclosed
US-20070123592-A1 Terephthalamide peptidomimetic compounds and methods YALE UNIVERSITY (US) 2007-05-31 US disclosed
EP-1723100-A4 TEREPHTHALAMIDE PEPTIDOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2007-04-04 EP disclosed
EP-1723100-A2 TEREPHTHALAMIDE PEPTIDOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2006-11-22 EP disclosed
WO-2005079541-A2 TEREPHTHALAMIDE PEPTIDOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2005-09-01 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-20070123592-A1 Terephthalamide peptidomimetic compounds and methods CRHBP, ANPEP, DNPEP MAPT 1192/4885ALDH1A1 4665/4885KDM4E 4496/4885

“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.