SCHEMBL13325401

SCHEMBL13325401

O=Nc1cc(O)cc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.50
▸ CA12 O43570 5/20 0.39
▸ CA9 Q16790 5/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA14 Q9ULX7 3/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA5A P35218 2/20 0.38
▸ LCK P06239 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ FASN P49327 1/20 0.35
▸ CYP3A4 P08684 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ BCR P11274 1/20 0.33

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
SCHEMBL14327172 0.94 BACE1 (0.41) BACE1CA12CA9CA2CA1
SCHEMBL14088881 0.82 HCAR1 (0.45) BACE1ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL20736714 0.82 BACE1 (0.32) BACE1
SCHEMBL13806490 0.82 ALDH1A1 (0.36) BACE1CA12CA9CA2CA1
SCHEMBL28234290 0.82 ALDH1A1 (0.55) BACE1ACHEALDH1A1HSD17B10CYP3A4
SCHEMBL24933931 0.77 NQO1 (0.54) NQO1
SCHEMBL19826377 0.77 ACHE (0.34) ACHE
SCHEMBL19884769 0.77 PTGS2 (0.36) CA12CA9CA2CA1CA14
SCHEMBL27360772 0.77 NQO1 (0.60) ALDH1A1HSD17B10FASNCYP3A4LMNA
SCHEMBL17366351 0.75 ALDH1A1 (0.36) ALDH1A1HSD17B10CYP3A4LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200299671-A1 IMMOBILIZED MULTI-ENZYMATIC HALOGENATION SYSTEM UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2020-09-24 — — US disclosed
EP-3653735-A1 REPTILE SKIN PRODUCT AND PRODUCTION METHOD FOR REPTILE SKIN PRODUCT Citizen Watch Co., Ltd. (JP) 2020-05-20 — — EP disclosed
EP-3401732-B1 HIGH RESOLUTION FLEXOGRAPHIC PRINTING PLATE AND MEANS FOR CONSTRUCTING SAME FOLEX AG (CH) 2020-02-05 — — EP disclosed
EP-2960333-B1 COMPOSITION FOR INHIBITING GENE EXPRESSION AND USES THEREOF IDERA PHARMACEUTICALS INC (US) 2017-10-04 — — EP disclosed
US-9012572-B2 Polyphenylene ether oligomer and article employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-04-21 — — US disclosed
US-20140323666-A1 POLYPHENYLENE ETHER OLIGOMER AND ARTICLE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-10-30 — — US disclosed
US-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 — — 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-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 BACE1 3681/4885CA12 455/4885CA9 501/4885

“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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