SCHEMBL16576815

SCHEMBL16576815

O=C(/C=C/c1ccc2c(c1)OCO2)CCC(=O)/C=C/c1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 3/20 0.68
▸ MAPT P10636 4/20 0.66
▸ APP P05067 1/20 0.66
▸ KDM4E B2RXH2 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ CYP1A2 P05177 2/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ MAOB P27338 1/20 0.61
▸ RAB9A P51151 3/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ TRPV1 Q8NER1 1/20 0.59
▸ CYP1A1 P04798 1/20 0.59
▸ CYP1B1 Q16678 1/20 0.59
▸ GABRA1 P14867 1/20 0.59
▸ GABRB2 P47870 1/20 0.59
▸ GAA P10253 1/20 0.59

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
SCHEMBL17691541 0.92 MAPT (0.71) TRPM8MAPTAPPKDM4EALDH1A1
SCHEMBL11481924 0.88 TRPM8 (0.68) TRPM8MAPTAPPKDM4EALDH1A1
SCHEMBL11481925 0.88 TRPM8 (0.68) TRPM8MAPTAPPKDM4EALDH1A1
SCHEMBL11482626 0.86 MAPT (0.59) TRPM8MAPTAPPKDM4EALDH1A1
SCHEMBL11482623 0.86 MAPT (0.59) TRPM8MAPTAPPKDM4EALDH1A1
SCHEMBL9548241 0.86 MAPT (0.60) TRPM8MAPTAPPKDM4EALDH1A1
SCHEMBL9548237 0.86 MAPT (0.60) TRPM8MAPTAPPKDM4EALDH1A1
Hydrochloric Acid SCHEMBL27699758 0.86 TRPM8 (0.67) TRPM8MAPTAPPKDM4EALDH1A1
SCHEMBL3218729 0.85 MAPT (0.67) TRPM8MAPTAPPKDM4EALDH1A1
SCHEMBL3218704 0.85 MAPT (0.67) TRPM8MAPTAPPKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9895322-B2 Pharmaceutical compositions for the delivery of substantially water-insoluble drugs SINGH MEWA (US) 2018-02-20 — — US disclosed
US-20150080353-A1 PHARMACEUTICAL COMPOSITIONS FOR THE DELIVERY OF SUBSTANTIALLY WATER-INSOLUBLE DRUGS SINGH MEWA (US) 2015-03-19 — — 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-20150080353-A1 PHARMACEUTICAL COMPOSITIONS FOR THE DELIVERY OF SUBSTANTIALLY WATER-INSOLUBLE DRUGS PTGS2, PTGES2, ABCG2 TRPM8 3793/4885MAPT 320/4885APP 3285/4885

“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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