SCHEMBL19655011

SCHEMBL19655011

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.39
▸ ABCB1 P08183 2/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ TSHR P16473 2/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ USP2 O75604 3/20 0.36
▸ CFTR P13569 2/20 0.36
▸ GOPC Q9HD26 2/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL19655008 0.94 ABCB1 (0.42) ARABCB1KDM4EKMT2AMEN1
SCHEMBL19655006 0.92 PTGS2 (0.40) ABCB1TSHRKMT2AMEN1USP2
SCHEMBL18854257 0.90 ABCB1 (0.36) ABCB1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL19495000 0.89 SCN1A (0.36) ABCB1KDM4EKMT2AMEN1USP2
SCHEMBL19655010 0.88 ABCB1 (0.35) ABCB1KMT2AMEN1USP2CFTR
SCHEMBL19494745 0.88 ABCB1 (0.34) ABCB1KDM4ETSHRALDH1A1HPGD
SCHEMBL19655012 0.88 USP2 (0.45) ABCB1KMT2AMEN1USP2CFTR
SCHEMBL19655004 0.86 ABCB1 (0.34) ABCB1KMT2AMEN1USP2CFTR
SCHEMBL19655007 0.86 ABCB1 (0.40) ABCB1KMT2AMEN1USP2CFTR
SCHEMBL19494775 0.85 ABCB1 (0.42) ABCB1TSHRKMT2AMEN1ALDH1A1

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 AR 4/4885ABCB1 2678/4885KDM4E 3254/4885

“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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