SCHEMBL19654996

SCHEMBL19654996

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ FPR2 P25090 3/20 0.36
▸ TGM2 P21980 1/20 0.35
▸ PAX8 Q06710 2/20 0.35
▸ CYP1A1 P04798 1/20 0.35

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
SCHEMBL19494832 0.92 SOS1 (0.43) AHRMEN1KMT2ATP53CYP3A4
SCHEMBL19494783 0.89 ABCB1 (0.46) AHRMEN1KMT2ATP53CYP3A4
SCHEMBL19494842 0.84 AHR (0.37) AHRMEN1KMT2ATP53CYP3A4
SCHEMBL19495086 0.83 AHR (0.37) AHRMEN1KMT2ATP53CYP3A4
Rhodamine B SCHEMBL10000882 0.78 MEN1 (0.61) MEN1KMT2AMAPTCYP2C19MAOB
SCHEMBL16994178 0.75 FPR2 (0.44) MEN1KMT2AUSP2POLBPPARG
SCHEMBL19495005 0.75 KDM4E (0.43) MEN1KMT2ACYP3A4MAPTUSP2
SCHEMBL18854256 0.74 FTO (0.51) MEN1KMT2ACYP3A4MAPTUSP2
SCHEMBL19655002 0.74 FTO (0.46) MEN1KMT2ACYP3A4MAPTUSP2
SCHEMBL12763951 0.73 POLB (0.50) MEN1KMT2ACYP3A4MAPTUSP2

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 1 patent. 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

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 1/4885MEN1 2721/4885KMT2A 2497/4885

“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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