SCHEMBL19495004

SCHEMBL19495004

C=C(C)C(=O)OCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(C)cc(C)c12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ FPR2 P25090 4/20 0.32
▸ USP2 O75604 2/20 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
▸ MAPT P10636 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TGM2 P21980 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ NCOR2 Q9Y618 1/20 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
SCHEMBL19494842 0.86 AHR (0.37) L3MBTL1ABCB1FPR2USP2CFTR
SCHEMBL19655001 0.86 MAPT (0.35) ABCB1MAPT
SCHEMBL19494775 0.84 ABCB1 (0.42) L3MBTL1ABCB1FPR2USP2CFTR
SCHEMBL18854257 0.83 ABCB1 (0.36) L3MBTL1ABCB1FPR2USP2CFTR
SCHEMBL19495005 0.82 KDM4E (0.43) L3MBTL1ABCB1FPR2USP2ATM
SCHEMBL19495000 0.82 SCN1A (0.36) L3MBTL1ABCB1FPR2USP2CFTR
SCHEMBL19655008 0.82 ABCB1 (0.42) L3MBTL1ABCB1FPR2USP2CFTR
SCHEMBL19655011 0.82 AR (0.39) L3MBTL1ABCB1FPR2USP2CFTR
SCHEMBL19655010 0.82 ABCB1 (0.35) L3MBTL1ABCB1FPR2USP2CFTR
SCHEMBL13609836 0.81 USP2 (0.52) ABCB1FPR2USP2CFTRPAX8

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 3 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
EP-3235876-A1 QUENCHER Wako Pure Chemical Industries, Ltd. (JP) 2017-10-25 — — EP 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 L3MBTL1 1158/4885ABCB1 2678/4885FPR2 83/4885

“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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