SCHEMBL19976545

SCHEMBL19976545

COc1cc(/C=C/CO)cc(C=O)c1O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 18/20 0.55
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2B6 P20813 1/20 0.47

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
SCHEMBL29603846 0.85 ABL1 (0.59) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1457517 0.85 ABL1 (0.59) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL807443 0.85 ABL1 (0.59) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL14281155 0.84 ERN1 (0.47) ERN1CYP3A4
SCHEMBL4632508 0.82 TUBB1 (0.56) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL152269 0.82 TUBB1 (0.56) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL30393705 0.82 ERN1 (0.68) ERN1LMNAMAPT
SCHEMBL326755 0.82 ERN1 (0.68) ERN1LMNAMAPT
SCHEMBL8679776 0.82 ERN1 (0.68) ERN1LMNAMAPT
SCHEMBL13176833 0.80 PTGS1 (0.54) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826396-B2 Nutriprotective diet FEDERATION DES PRODUCTEURS ACERICOLES DU QUEBEC (CA) 2023-11-28 — — US disclosed
US-20210156060-A1 LOW BASIS WEIGHT FLAME RETARDANT SCRIM, ARTICLES, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2021-05-27 — — US disclosed
US-20190070245-A1 NUTRIPROTECTIVE DIET FÉDÉRATION DES PRODUCTEURS ACÉRICOLES DU QUÉBEC (CA) 2019-03-07 — — US disclosed
US-9922741-B2 Method for the pre-calcining treatment of an aqueous nitric solution comprising at least one radionuclide and optionally ruthenium COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-03-20 — — 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 (2 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-11826396-B2 Nutriprotective diet NEFM, NNMT, SORD ERN1 4711/4885LMNA 2732/4885MAPT 126/4885
US-20190070245-A1 NUTRIPROTECTIVE DIET NEFM, NNMT, SORD ERN1 4711/4885LMNA 2732/4885MAPT 126/4885

“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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