SCHEMBL2605863

SCHEMBL2605863

CC(O)Oc1ccc(/C=C/C(=O)OCc2ccccc2)cc1OC(C)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.64
CA4 P22748 2/20 0.64
CA6 P23280 2/20 0.64
CA5A P35218 2/20 0.64
CA7 P43166 2/20 0.64
CA9 Q16790 2/20 0.64
CA14 Q9ULX7 2/20 0.64
CA5B Q9Y2D0 2/20 0.64
TTR P02766 4/20 0.60
AKR1B10 O60218 2/20 0.60
AKR1B1 P15121 2/20 0.60
LMNA P02545 2/20 0.59
AKR1C3 P42330 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.50
MET P08581 2/20 0.49
MAOA P21397 1/20 0.49

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
SCHEMBL2605865 0.88 TTR (0.71) CA12CA4CA6CA5ACA7
SCHEMBL2605864 0.86 ALOX5 (0.63) TTRAKR1B10AKR1B1LMNAAKR1C3
SCHEMBL8738318 0.84 TTR (0.47) CA12CA4CA6CA5ACA7
SCHEMBL15384085 0.83 CA12 (0.81) CA12CA4CA6CA5ACA7
SCHEMBL15384917 0.81 CA12 (0.64) CA12CA4CA6CA5ACA7
SCHEMBL15384910 0.81 CA12 (0.67) CA12CA4CA6CA5ACA7
SCHEMBL2602743 0.80 CA12 (0.65) CA12CA4CA6CA5ACA7
SCHEMBL9550145 0.80 CA12 (0.76) CA12CA4CA6CA5ACA7
SCHEMBL15384918 0.79 CA12 (0.61) CA12CA4CA6CA5ACA7
SCHEMBL16601909 0.79 CA12 (0.65) CA12CA4CA6CA5ACA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129931-A1 CAFFEIC ACID DERIVATIVES AND THEIR USE IN IMPROVING NEURONAL CELL VIABILITY Chemigen (US) 2012-05-24 US disclosed
WO-2012068038-A2 CAFFEIC ACID DERIVATIVES AND THEIR USE IN IMPROVING NEURONAL CELL VIABILITY Chemigen (US) 2012-05-24 WO disclosed
US-20120100122-A1 COMBINATION THERAPY Chemigen (US) 2012-04-26 US disclosed
WO-2012054446-A2 COMBINATION THERAPY Chemigen (US) 2012-04-26 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 (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-20120129931-A1 CAFFEIC ACID DERIVATIVES AND THEIR USE IN IMPROVING NEURONAL CELL VIABILITY CCAR2, BDNF, CASP3 CA12 682/4885CA4 453/4885CA6 408/4885
US-20120100122-A1 COMBINATION THERAPY SLC25A20, TFAM, NDUFAB1 CA12 3597/4885CA4 2497/4885CA6 2403/4885

“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.