SCHEMBL19655006

SCHEMBL19655006

C=C(C)C(=O)OCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2ccc(Oc3ccccc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.40
▸ ABCB1 P08183 1/20 0.34
▸ USP2 O75604 2/20 0.34
▸ CFTR P13569 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ GOPC Q9HD26 1/20 0.34
▸ FPR2 P25090 2/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ FTO Q9C0B1 2/20 0.33
▸ ACHE P22303 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL19655007 0.94 ABCB1 (0.40) PTGS2ABCB1USP2CFTRPAX8
SCHEMBL19655011 0.92 AR (0.39) ABCB1USP2CFTRPAX8ATM
SCHEMBL18854257 0.90 ABCB1 (0.36) ABCB1USP2CFTRPAX8ATM
SCHEMBL19495000 0.89 SCN1A (0.36) ABCB1USP2CFTRPAX8ATM
SCHEMBL19655010 0.87 ABCB1 (0.35) ABCB1USP2CFTRPAX8ATM
SCHEMBL19655004 0.86 ABCB1 (0.34) ABCB1USP2CFTRPAX8ATM
SCHEMBL19655012 0.86 USP2 (0.45) ABCB1USP2CFTRPAX8ATM
SCHEMBL19655008 0.86 ABCB1 (0.42) ABCB1USP2CFTRPAX8ATM
SCHEMBL19655005 0.85 FTO (0.44) PTGS2ABCB1USP2FPR2TGM2
SCHEMBL19654997 0.85 FPR2 (0.39) ABCB1USP2CFTRPAX8ATM

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 2 patents. 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
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 PTGS2 690/4885ABCB1 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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