SCHEMBL19655012

SCHEMBL19655012

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ FPR2 P25090 4/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ CHRM1 P11229 2/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ AVPR2 P30518 2/20 0.36
▸ NPY4R P50391 3/20 0.35
▸ ABCB1 P08183 1/20 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

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
SCHEMBL13609836 0.94 USP2 (0.52) USP2MEN1POLBPPARGBLM
SCHEMBL19654997 0.93 FPR2 (0.39) USP2MEN1POLBPPARGBLM
SCHEMBL17532633 0.91 MEN1 (0.51) USP2MEN1POLBPPARGBLM
SCHEMBL17693122 0.90 MEN1 (0.50) USP2MEN1POLBPPARGBLM
SCHEMBL18854257 0.90 ABCB1 (0.36) USP2MEN1POLBPPARGBLM
SCHEMBL19495000 0.88 SCN1A (0.36) USP2MEN1POLBPPARGBLM
SCHEMBL19655011 0.88 AR (0.39) USP2MEN1POLBPPARGBLM
SCHEMBL19655010 0.87 ABCB1 (0.35) USP2MEN1POLBPPARGBLM
SCHEMBL18671397 0.87 TGM2 (0.49) USP2MEN1POLBPPARGBLM
SCHEMBL19655020 0.87 USP2 (0.38) USP2MEN1POLBPPARGBLM

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 USP2 3122/4885MEN1 2721/4885POLB 1849/4885

“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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