SCHEMBL19495008

SCHEMBL19495008

CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3ccc(Oc4ccccc4)cc3oc-2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.42
▸ USP2 O75604 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ BLM P54132 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ FTO Q9C0B1 2/20 0.42
▸ FPR2 P25090 4/20 0.41
▸ CFTR P13569 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GOPC Q9HD26 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL19655005 0.93 FTO (0.44) ABCB1USP2MEN1BLMKMT2A
SCHEMBL19494880 0.91 ABCB1 (0.45) ABCB1USP2MEN1BLMKMT2A
SCHEMBL19494774 0.86 USP2 (0.53) ABCB1USP2MEN1BLMKMT2A
SCHEMBL12763951 0.86 POLB (0.50) ABCB1USP2MEN1BLMKMT2A
SCHEMBL17109310 0.85 ABCB1 (0.44) ABCB1USP2MEN1BLMKMT2A
SCHEMBL19655007 0.85 ABCB1 (0.40) ABCB1USP2MEN1BLMKMT2A
SCHEMBL19494844 0.84 AR (0.46) ABCB1USP2MEN1BLMKMT2A
SCHEMBL29593395 0.83 MEN1 (0.61) USP2MEN1BLMKMT2APOLB
SCHEMBL3903552 0.83 MEN1 (0.61) USP2MEN1BLMKMT2APOLB
SCHEMBL16378797 0.83 FPR2 (0.44) ABCB1USP2MEN1BLMKMT2A

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 2678/4885USP2 3122/4885MEN1 2721/4885

“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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