SCHEMBL18975334

SCHEMBL18975334

CCCCCOC(=O)c1c[nH]c2ccc(OCC(C)(C)F)c(OC)c12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL18975132 0.88 TSHR (0.41) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL18975215 0.80 JAK3 (0.34) —
SCHEMBL18975131 0.74 TSHR (0.44) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL18975049 0.73 TSHR (0.45) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL18974960 0.72 RAB9A (0.41) MAPK1LMNAKDM4E
SCHEMBL18975466 0.67 HTT (0.47) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL28978567 0.65 ALDH1A1 (0.61) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL5935743 0.65 TSHR (0.65) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL8959903 0.65 TSHR (0.65) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL27271383 0.63 TSHR (0.57) 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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