SCHEMBL19655014

SCHEMBL19655014

CCCC[N+](CCCC)=c1ccc2c(-c3ccccc3C(=O)O)c3cc(Nc4ccccc4)c(C)cc3oc-2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 2/20 0.40
▸ ABCB1 P08183 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ BRCA1 P38398 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL29822272 1.00 FTO (0.40) FTOABCB1KDM4EUSP2MEN1
SCHEMBL26472325 0.91 FTO (0.42) FTOABCB1KDM4EUSP2MEN1
SCHEMBL19655015 0.87 FPR2 (0.39) FTOABCB1KDM4EUSP2MEN1
SCHEMBL19655013 0.86 ABCB1 (0.36) ABCB1USP2TLR7CFTRPAX8
SCHEMBL19655017 0.85 FTO (0.39) FTOABCB1KDM4EUSP2MEN1
SCHEMBL19494852 0.84 KDM4E (0.41) FTOABCB1KDM4EUSP2MEN1
SCHEMBL14156520 0.83 FTO (0.44) FTOABCB1KDM4EUSP2MEN1
SCHEMBL19655009 0.81 FTO (0.48) FTOABCB1KDM4EUSP2MEN1
SCHEMBL14156628 0.79 MEN1 (0.54) FTOABCB1KDM4EUSP2MEN1
SCHEMBL19495010 0.76 KDM4E (0.41) FTOABCB1KDM4EUSP2MEN1

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 2 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

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 FTO 330/4885ABCB1 2678/4885KDM4E 3254/4885

“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.

Send feedback