SCHEMBL19655016

SCHEMBL19655016

C=C(C)C(=O)OCCOC(=O)c1ccccc1-c1c2cc/c(=[N+](/CC)CCC(C)C)cc-2oc2cc(C)c(Nc3ccccc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 4/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ CFTR P13569 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ GOPC Q9HD26 1/20 0.32
▸ TGM2 P21980 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ NPY4R P50391 3/20 0.30

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
SCHEMBL19655013 0.89 ABCB1 (0.36) FPR2ABCB1USP2CFTRPAX8
SCHEMBL19655015 0.87 FPR2 (0.39) FPR2ABCB1USP2CFTRPAX8
SCHEMBL19655018 0.85 ABCB1 (0.34) ABCB1USP2CFTRPAX8ATM
SCHEMBL17863900 0.84 ABCB1 (0.34) ABCB1USP2CFTRPAX8ATM
SCHEMBL19495011 0.79 ABCB1 (0.35) ABCB1USP2CFTRPAX8ATM
SCHEMBL26472325 0.79 FTO (0.42) FPR2ABCB1USP2CFTRPAX8
SCHEMBL19495000 0.78 SCN1A (0.36) FPR2ABCB1USP2CFTRPAX8
SCHEMBL19494775 0.77 ABCB1 (0.42) FPR2ABCB1USP2CFTRPAX8
SCHEMBL18854257 0.77 ABCB1 (0.36) FPR2ABCB1USP2CFTRPAX8
SCHEMBL19655007 0.76 ABCB1 (0.40) FPR2ABCB1USP2CFTRPAX8

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-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 — — 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-20170342031-A1 QUENCHER AHR, GFER, AKR1A1 FPR2 83/4885ABCB1 2678/4885USP2 3122/4885

“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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