SCHEMBL18974960

SCHEMBL18974960

C=CNCCCCOC(=O)c1c[nH]c2ccc(OC)c(OC)c12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.37
▸ JAK3 P52333 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL18974967 0.90 NR4A2 (0.35) —
SCHEMBL18975231 0.90 JAK3 (0.38) RXFP1JAK3
SCHEMBL18975215 0.89 JAK3 (0.34) RAB9AJAK3
SCHEMBL18975248 0.89 MTNR1A (0.38) RXFP1JAK3KMT2AGAANPSR1
SCHEMBL18975057 0.82 KCNH2 (0.40) JAK3KMT2AKDM4EMAPK1
SCHEMBL18975230 0.81 JAK3 (0.35) JAK3
SCHEMBL18974975 0.81 KMT2A (0.38) KMT2AKDM4E
SCHEMBL18975224 0.81 KMT2A (0.38) KMT2AKDM4EMAPK1
SCHEMBL18975204 0.80 JAK3 (0.37) JAK3
SCHEMBL18975507 0.80 NR4A2 (0.42) RAB9AJAK3KMT2AMEN1

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-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 — — 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-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 RAB9A 433/4885RXFP1 696/4885JAK3 4401/4885

“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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