SCHEMBL19494842

SCHEMBL19494842

C=C(C)C(=O)OCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2ccc3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ USP2 O75604 2/20 0.33
▸ CFTR P13569 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GOPC Q9HD26 1/20 0.33
▸ FPR2 P25090 3/20 0.32

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
SCHEMBL19495086 0.89 AHR (0.37) AHRKDM4EALDH1A1GLAGAA
SCHEMBL19495004 0.86 L3MBTL1 (0.34) MEN1KMT2AMAPTABCB1USP2
SCHEMBL18854257 0.85 ABCB1 (0.36) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL19494783 0.85 ABCB1 (0.46) AHRKDM4EALDH1A1GLAGAA
SCHEMBL19655011 0.85 AR (0.39) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL19495000 0.85 SCN1A (0.36) KDM4EMEN1KMT2AMAPTABCB1
SCHEMBL19494775 0.85 ABCB1 (0.42) ALDH1A1MEN1KMT2ATP53ABCB1
SCHEMBL19654996 0.84 AHR (0.42) AHRKDM4EALDH1A1GLAGAA
SCHEMBL19655010 0.84 ABCB1 (0.35) MEN1KMT2AABCB1USP2CFTR
SCHEMBL19655001 0.83 MAPT (0.35) ALDH1A1MAPTABCB1

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 AHR 1/4885KDM4E 3254/4885ALDH1A1 365/4885

“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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