SCHEMBL19960678

SCHEMBL19960678

Cc1ccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.85
▸ ACHE P22303 2/20 0.85
▸ ODC1 P11926 2/20 0.85
▸ BCHE P06276 1/20 0.85
▸ BACE1 P56817 1/20 0.85
▸ HIF1AN Q9NWT6 11/20 0.69

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
SCHEMBL19960679 0.92 PTPN1 (1.00) PTPN1ACHEODC1BCHEBACE1
SCHEMBL31376263 0.92 PTPN1 (1.00) PTPN1ACHEODC1BCHEBACE1
SCHEMBL31376191 0.90 PTPN1 (0.83) PTPN1ACHEODC1BCHEBACE1
Lonchocarpin SCHEMBL29435870 0.89 PTPN1 (0.83) PTPN1ACHEODC1BCHEBACE1
SCHEMBL13534952 0.88 ACHE (1.00) PTPN1ACHEODC1BCHEBACE1
SCHEMBL31376270 0.88 ACHE (1.00) PTPN1ACHEODC1BCHEBACE1
SCHEMBL16865502 0.83 ODC1 (0.84) PTPN1ACHEODC1BCHEBACE1
SCHEMBL16694388 0.83 HIF1AN (0.87) PTPN1ACHEODC1BCHEBACE1
SCHEMBL31376176 0.83 HIF1AN (0.87) PTPN1ACHEODC1BCHEBACE1
SCHEMBL16694389 0.83 HIF1AN (0.87) PTPN1ACHEODC1BCHEBACE1

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-20180071180-A1 COMPOSITION OF MATERIALS CONTAINING FLUORIDE VARNISH AND ANTIBACTERIAL AGENTS FOR PREVENTION AND TREATMENT OF DENTAL CARIES WONKWANG UNIVERSITY CENTER FOR INDUSTRY-ACADEMY COOPERATION (KR) 2018-03-15 — — 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-20180071180-A1 COMPOSITION OF MATERIALS CONTAINING FLUORIDE VARNISH AND ANTIBACTERIAL AGENTS FOR PREVENTION AND TREATMENT OF DENTAL CARIES RAB35, GANC, GALE PTPN1 4504/4885ACHE 66/4885ODC1 2923/4885

“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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