SCHEMBL18975131

SCHEMBL18975131

CCCCCOC(=O)c1c[nH]c2ccc(OCCOC)c(C)c12

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL18975049 0.90 TSHR (0.45) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL18975234 0.76 — —
SCHEMBL18975230 0.76 JAK3 (0.35) —
SCHEMBL17429469 0.75 — —
SCHEMBL17417599 0.75 — —
SCHEMBL18975334 0.74 TSHR (0.40) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL18975231 0.74 JAK3 (0.38) —
SCHEMBL18975235 0.72 JAK2 (0.37) ALDH1A1
SCHEMBL23748659 0.70 ALDH1A1 (0.68) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL4523355 0.69 TSHR (0.58) TSHRMAPK1TP53CYP3A4ALDH1A1

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 TSHR 470/4885MAPK1 2945/4885TP53 4405/4885

“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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