SCHEMBL14473750

SCHEMBL14473750

COc1ccc2c(CCC(=O)O)cc(=O)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.76
▸ LCK P06239 1/20 0.76
▸ ALDH1A1 P00352 6/20 0.67
▸ HPGD P15428 4/20 0.67
▸ CYP2D6 P10635 3/20 0.64
▸ CA12 O43570 1/20 0.61
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ CA3 P07451 1/20 0.61
▸ CA4 P22748 1/20 0.61
▸ CA5A P35218 1/20 0.61
▸ CA7 P43166 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ CA14 Q9ULX7 1/20 0.61
▸ CA5B Q9Y2D0 1/20 0.61
▸ HSD17B10 Q99714 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ CYP19A1 P11511 2/20 0.58
▸ POLB P06746 2/20 0.56

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
SCHEMBL246218 0.86 KDM4E (1.00) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL29397959 0.86 KDM4E (1.00) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL8324046 0.85 KDM4E (0.65) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL6439485 0.85 KDM4E (0.69) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL15984893 0.83 KDM4E (0.71) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL9797535 0.82 CYP2D6 (0.68) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL29975674 0.82 CYP2D6 (0.68) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL3194989 0.82 KDM4E (0.72) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL14473837 0.82 KDM4E (0.65) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL6031499 0.82 CYP2D6 (0.76) KDM4ELCKALDH1A1HPGDCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161807-A1 Method for manufacturing optically pure coumaryl amino acids and the novel coumaryl aminoacids thus obtained INSERM (INSTITUT NATIONAL DE LA SANT'E ET DE LA RECHERCHE MEDICALE (FR) 2007-07-12 — — 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 (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-20070161807-A1 Method for manufacturing optically pure coumaryl amino acids and the novel coumaryl aminoacids thus obtained CRYAA, BCAT2, BCAT1 KDM4E 3515/4885LCK 3755/4885ALDH1A1 874/4885

“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.

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