SCHEMBL39232

SCHEMBL39232

CCC(C)c1c(C(=O)O)cc(O)c(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 2/20 0.38
SELP P16109 2/20 0.38
THRB P10828 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CA3 P07451 1/20 0.36
MAPT P10636 1/20 0.36
FUT4 P22083 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36

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
SCHEMBL18791468 0.85 SELL (0.41) SELLSELPTHRBALDH1A1HPGD
SCHEMBL8531738 0.81 KAT8 (0.44) ALDH1A1BCL2MCL1
SCHEMBL2481281 0.81 LDHA (0.44) SELLSELPTHRBALDH1A1HPGD
SCHEMBL39051 0.81 CYP3A4 (0.42) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL38648 0.81 SELL (0.50) SELLSELPHDAC4HDAC2HDAC8
SCHEMBL465522 0.78 SELL (0.41) SELLSELPTHRBALDH1A1HPGD
SCHEMBL1694999 0.78 GRM1 (0.41) SELLSELPTHRBALDH1A1HPGD
SCHEMBL15524641 0.77 HDAC4 (0.42) SELLSELPTHRBHDAC4HDAC2
SCHEMBL6448117 0.75 CYP1A2 (0.42) ALDH1A1KDM4ECA12MAPTCA9
SCHEMBL5316032 0.74 KAT8 (0.41) ALDH1A1BCL2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2584896-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2013-05-01 EP disclosed
US-20130102463-A1 Herbicidal Compositions BASF SE (DE) 2013-04-25 US disclosed
WO-2011161105-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2011-12-29 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-20130102463-A1 Herbicidal Compositions PPOX, PAOX, DDT SELL 4737/4885SELP 4179/4885THRB 1835/4885

“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.