SCHEMBL18854256

SCHEMBL18854256

CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3cc(F)ccc3oc-2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 2/20 0.51
▸ POLB P06746 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ USP2 O75604 4/20 0.44
▸ BLM P54132 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ BRCA1 P38398 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PPARG P37231 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL19655009 0.91 FTO (0.48) FTOPOLBKDM4EMEN1KMT2A
SCHEMBL19655002 0.88 FTO (0.46) FTOPOLBKDM4EMEN1KMT2A
SCHEMBL19655005 0.87 FTO (0.44) FTOPOLBKDM4EMEN1KMT2A
SCHEMBL19495096 0.87 MEN1 (0.52) FTOPOLBKDM4EMEN1KMT2A
SCHEMBL19494844 0.86 AR (0.46) FTOPOLBKDM4EMEN1KMT2A
SCHEMBL19495091 0.86 FTO (0.45) FTOPOLBKDM4EMEN1KMT2A
SCHEMBL19654998 0.85 FTO (0.44) FTOPOLBKDM4EMEN1KMT2A
SCHEMBL19655003 0.85 FTO (0.43) FTOPOLBKDM4EMEN1KMT2A
SCHEMBL12763951 0.83 POLB (0.50) FTOPOLBKDM4EMEN1KMT2A
SCHEMBL19494774 0.83 USP2 (0.53) FTOPOLBKDM4EMEN1KMT2A

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 5 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
US-20170137553-A1 GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-18 — — US disclosed
US-20170137553-A1 GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-18 — — 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 330/4885POLB 1849/4885KDM4E 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.

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