SCHEMBL20347152

SCHEMBL20347152

Cc1cccc(CC(OC(C)(C)C)(C(=O)O)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 2/20 0.40
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
IDO1 P14902 2/20 0.40
KMT2A Q03164 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL20347151 0.85 MAOB (0.42) POLBKDM4EALDH1A1CYP3A4RECQL
SCHEMBL19961863 0.84 SMN1; SMN2 (0.48) ALDH1A1CYP3A4RECQL
SCHEMBL26973347 0.84 PKM (0.47) CTBP2MAOBGRM2GRM3KMT2A
SCHEMBL24983272 0.82 CYP1A2 (0.49) CTBP2POLBALDH1A1GRM2GRM3
SCHEMBL20347160 0.81 CETP (0.46) KDM4EALDH1A1TDP1FFAR4
SCHEMBL20350604 0.81 NR4A2 (0.47) MAOBIDO1KMT2AFFAR4
SCHEMBL20347148 0.81 BLM (0.41) CTBP2TDP1KMT2A
SCHEMBL20347180 0.79 KMT2A (0.43) ALDH1A1KMT2A
SCHEMBL21602286 0.79 PPARG (0.47)
SCHEMBL692554 0.79 CTBP2 (0.49) CTBP2POLBKDM4EALDH1A1CYP3A4

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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 CTBP2 3291/4885POLB 1629/4885KDM4E 2596/4885

“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.