SCHEMBL15445882

SCHEMBL15445882

COc1ncc(-c2ccc(OC(=O)C(C)(C)C)cc2)c(OC)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.46
QPCT Q16769 1/20 0.45
QPCTL Q9NXS2 1/20 0.45
ELANE P08246 10/20 0.45
NPSR1 Q6W5P4 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PLAU P00749 1/20 0.39
P2RX3 P56373 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
LDHA P00338 1/20 0.38
FTO Q9C0B1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL15677872 0.78 PPARD (0.51) PPARDQPCTQPCTLNPSR1KDM4E
SCHEMBL2039576 0.77 MAP4K4 (0.53) PPARDQPCTQPCTLPLAULDHA
SCHEMBL1622162 0.76 QPCT (0.52) PPARDQPCTQPCTLNPSR1ATM
SCHEMBL28589686 0.75 ELANE (0.37) QPCTQPCTLELANENPSR1ATM
SCHEMBL16104488 0.74 QPCT (0.56) PPARDQPCTQPCTLNPSR1ATM
SCHEMBL29809511 0.73 HSD11B1 (0.57) QPCTQPCTLNPSR1ATMMEN1
SCHEMBL4743846 0.73 HSD11B1 (0.57) QPCTQPCTLNPSR1ATMMEN1
SCHEMBL3767625 0.73 QPCT (0.54) PPARDQPCTQPCTLNPSR1ATM
SCHEMBL3564079 0.72 QPCT (0.53) PPARDQPCTQPCTLNPSR1ATM
SCHEMBL13998362 0.72 ELANE (0.76) ELANE

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-9273070-B2 Organozinc complexes and processes for making and using the same KNOCHEL PAUL (DE) 2016-03-01 US disclosed
US-9273070-B2 Organozinc complexes and processes for making and using the same KNOCHEL PAUL (DE) 2016-03-01 US disclosed
US-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME LUDWIG-MAXIMILIAN-UNIVERSITAT MUNCHEN (DE) 2014-01-30 US disclosed
US-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME LUDWIG-MAXIMILIAN-UNIVERSITAT MUNCHEN (DE) 2014-01-30 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-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME ODC1, AOC1, ADH1C PPARD 3020/4885QPCT 1317/4885QPCTL 2695/4885

“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.