SCHEMBL4290202

SCHEMBL4290202

CCOC(=O)c1ccc(C=O)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.68
CA1 P00915 4/20 0.68
CA2 P00918 4/20 0.68
CA7 P43166 4/20 0.68
CA9 Q16790 4/20 0.68
CA14 Q9ULX7 4/20 0.68
HSD17B2 P37059 1/20 0.56
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HCRTR1 O43613 1/20 0.49
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAOA P21397 1/20 0.49
TRIM24 O15164 1/20 0.47
TYR P14679 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL1093483 0.87 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL11249719 0.85 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL15322694 0.83 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2989137 0.83 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1485297 0.81 XDH (0.65) CA12CA1CA2CA7CA9
SCHEMBL5125005 0.81 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL8992939 0.81 HSD17B2 (0.66) CA12CA1CA2CA7CA9
SCHEMBL15322138 0.81 HSD17B2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL39791 0.81 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL29625511 0.81 CA12 (1.00) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084721-A Schiff base compound, preparation method and application thereof 安徽省东超科技有限公司 2024-05-28 CN disclosed
US-9737522-B2 NMDA receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2017-08-22 US disclosed
US-20150196540-A1 NMDA RECEPTOR MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-07-16 US disclosed
WO-2014025942-A1 NMDA RECEPTOR MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-02-13 WO disclosed
US-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-05-28 US disclosed
EP-2048150-A1 BENZYL PHENYL GLUCOPYRANOSIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-04-15 EP 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-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 CA12 2069/4885CA1 2477/4885CA2 378/4885
US-20150196540-A1 NMDA RECEPTOR MODULATORS AND USES RELATED THERETO GRIN2C, GRIN2A, GRIN3A CA12 2318/4885CA1 735/4885CA2 1595/4885

“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.