SCHEMBL19494832

SCHEMBL19494832

CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3c(ccc4ccccc43)oc-2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ AHR P35869 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ FTO Q9C0B1 2/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HPGD P15428 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ USP2 O75604 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ HTT P42858 2/20 0.38

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
SCHEMBL19654996 0.92 AHR (0.42) SOS1KDM4EAHRPOLBMEN1
SCHEMBL19494783 0.89 ABCB1 (0.46) KDM4EAHRMEN1KMT2AMAPT
SCHEMBL19495005 0.83 KDM4E (0.43) KDM4EPOLBFTOMEN1KMT2A
SCHEMBL19495086 0.83 AHR (0.37) KDM4EAHRPOLBMEN1KMT2A
SCHEMBL19494842 0.83 AHR (0.37) KDM4EAHRPOLBMEN1KMT2A
SCHEMBL19655002 0.82 FTO (0.46) KDM4EPOLBFTOMEN1KMT2A
SCHEMBL18854256 0.82 FTO (0.51) KDM4EPOLBFTOMEN1KMT2A
SCHEMBL19494774 0.81 USP2 (0.53) SOS1KDM4EPOLBFTOMEN1
SCHEMBL12763951 0.81 POLB (0.50) KDM4EPOLBFTOMEN1KMT2A
SCHEMBL19494844 0.80 AR (0.46) KDM4EPOLBFTOMEN1KMT2A

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 SOS1 1701/4885KDM4E 3254/4885AHR 1/4885

“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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