SCHEMBL19494880

SCHEMBL19494880

CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3ccc(OC)cc3oc-2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ USP2 O75604 4/20 0.44
▸ CFTR P13569 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ GOPC Q9HD26 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL19494844 0.92 AR (0.46) ABCB1USP2CFTRPAX8ATM
SCHEMBL19495008 0.91 ABCB1 (0.42) ABCB1CA12CA1CA2CA9
SCHEMBL15355554 0.90 MEN1 (0.48) ABCB1CA12CA1CA2CA3
SCHEMBL13045851 0.87 ABCB1 (0.48) ABCB1CA12CA1CA2CA3
SCHEMBL19494774 0.87 USP2 (0.53) ABCB1CA1CA2CA9USP2
SCHEMBL12763951 0.87 POLB (0.50) ABCB1USP2CFTRPAX8ATM
SCHEMBL19494744 0.87 SOS1 (0.44) ABCB1CA12CA1CA2CA3
SCHEMBL17109310 0.86 ABCB1 (0.44) ABCB1CA9USP2CFTRPAX8
SCHEMBL19655008 0.84 ABCB1 (0.42) ABCB1CA12CA1CA2CA3
SCHEMBL10205417 0.84 USP2 (0.58) ABCB1CA12CA1CA2CA3

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 ABCB1 2678/4885CA12 4632/4885CA1 3852/4885

“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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