SCHEMBL12848552

SCHEMBL12848552

CCC(=O)c1cc2cc(OC)ccc2o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.65
TAS1R1 Q7RTX1 10/20 0.65
MAOB P27338 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA3 P07451 1/20 0.55
HPGD P15428 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
OXTR P30559 1/20 0.54
FLT3 P36888 1/20 0.54
HDAC3 O15379 1/20 0.53

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
SCHEMBL8310947 0.88 TAS1R3 (0.59) TAS1R3TAS1R1TRPM8KDM4EALDH1A1
SCHEMBL31060243 0.85 FLT3 (0.71) TAS1R3TAS1R1KDM4EALDH1A1CA2
SCHEMBL17541455 0.85 TAS1R3 (0.59) TAS1R3TAS1R1MAOBTRPM8HDAC3
SCHEMBL24522315 0.84 TAS1R3 (0.73) TAS1R3TAS1R1KDM4EALDH1A1HPGD
SCHEMBL29362997 0.84 TAS1R3 (0.73) TAS1R3TAS1R1KDM4EALDH1A1HPGD
SCHEMBL9612676 0.84 TAS1R3 (0.55) TAS1R3TAS1R1KDM4EALDH1A1CA2
SCHEMBL1287553 0.84 KDM4E (0.66) TAS1R3TAS1R1KDM4EALDH1A1CA2
SCHEMBL29527237 0.84 KDM4E (0.66) TAS1R3TAS1R1KDM4EALDH1A1CA2
SCHEMBL335319 0.84 KDM4E (0.66) TAS1R3TAS1R1KDM4EALDH1A1CA2
SCHEMBL5806070 0.84 TAS1R3 (0.62) TAS1R3TAS1R1KDM4EALDH1A1CA2

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-20110065767-A1 Substituted CC-1065 Analogs and Their Conjugates SYNTARGA B.V. (NL) 2011-03-17 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-20110065767-A1 Substituted CC-1065 Analogs and Their Conjugates PCNA, TOP1, TOP2B TAS1R3 4765/4885TAS1R1 4726/4885MAOB 3498/4885

“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.