SCHEMBL4390495

SCHEMBL4390495

O=CCOc1ccc2ccc(=O)oc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 11/20 0.75
▸ CA9 Q16790 11/20 0.75
▸ CA1 P00915 10/20 0.75
▸ MTNR1A P48039 4/20 0.69
▸ KDM4E B2RXH2 4/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ CA6 P23280 5/20 0.67
▸ CA7 P43166 5/20 0.67
▸ CA14 Q9ULX7 5/20 0.67
▸ CA4 P22748 5/20 0.67
▸ CA5B Q9Y2D0 3/20 0.67
▸ CA5A P35218 3/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CA2 P00918 3/20 0.63
▸ CA3 P07451 3/20 0.63
▸ MAOB P27338 5/20 0.61
▸ MAOA P21397 4/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60

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
7-Allyloxycoumarin SCHEMBL4765530 0.86 CA12 (1.00) CA12CA9CA1MTNR1AKDM4E
SCHEMBL14403149 0.84 CA12 (0.68) CA12CA9CA1MTNR1AKDM4E
(E)-7-(2-Butenyloxy)Coumarin SCHEMBL12189889 0.83 CA12 (0.69) CA12CA9CA1MTNR1AKDM4E
(E)-7-(2-Butenyloxy)Coumarin SCHEMBL18284641 0.83 CA12 (0.69) CA12CA9CA1MTNR1AKDM4E
SCHEMBL12304245 0.83 CA12 (0.81) CA12CA9CA1MTNR1AKDM4E
SCHEMBL12189883 0.82 CA12 (0.68) CA12CA9CA1MTNR1AKDM4E
SCHEMBL12189878 0.82 CA12 (0.68) CA12CA9CA1MTNR1AKDM4E
SCHEMBL12189886 0.82 CA12 (0.68) CA12CA9CA1MTNR1AKDM4E
7-Prenyloxycoumarin SCHEMBL4898255 0.82 KDM4E (1.00) CA12CA9CA1MTNR1AKDM4E
SCHEMBL29999425 0.80 NDUFS8 (0.83) CA12CA9CA1MTNR1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230200386-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS HERBICIDES IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-06-29 — — US disclosed
US-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 — — US disclosed
US-7427680-B2 Fluorogenic substrates for BETA-lactamase gene expression THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-23 — — US disclosed
US-7427680-B2 Fluorogenic substrates for BETA-lactamase gene expression THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-23 — — US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 — — 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 (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-20230200386-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS HERBICIDES DDT, CYP4B1, GSTO1 CA12 2533/4885CA9 2844/4885CA1 1211/4885

“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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