SCHEMBL29396136

SCHEMBL29396136

O=C(Oc1cc(O)cc(O)c1C(=O)O)c1ccc(O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYNJ2 O15056 1/20 0.56
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 4/20 0.49
CA9 Q16790 4/20 0.49
CA14 Q9ULX7 4/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
PTGS2 P35354 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
XDH P47989 1/20 0.47
POLA1 P09884 1/20 0.44
ANTXR2 P58335 1/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43

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
SCHEMBL17944269 1.00 SYNJ2 (0.56) SYNJ2CA12CA1CA2CA7
Gallic Acid SCHEMBL22117576 0.93 POLB (0.56) SYNJ2CA12CA1CA2CA7
SCHEMBL5603951 0.82 CYP3A4 (0.54) SYNJ2POLBKDM4EMAPTPOLA1
SCHEMBL724973 0.80 SYNJ2 (0.70) SYNJ2CA12CA1CA2CA7
SCHEMBL1771466 0.78 SYNJ2 (0.46) SYNJ2CA12CA1CA2CA7
SCHEMBL1023894 0.78 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL2277663 0.78 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL11645189 0.77 CYP3A4 (0.52) SYNJ2POLBKDM4EMAPTCYP3A4
SCHEMBL13286773 0.75 SERPINE1 (0.70) CA12CA1CA2CA7CA9
SCHEMBL29071843 0.73 SYNJ2 (0.56) SYNJ2CA12CA1CA2CA7

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
CN-116539901-A Application of differential metabolite as diagnostic marker and kit 中国医学科学院北京协和医院 2023-08-04 CN claimed
CN-116539901-A Application of differential metabolite as diagnostic marker and kit 中国医学科学院北京协和医院 2023-08-04 CN disclosed
CN-116539901-A Application of differential metabolite as diagnostic marker and kit 中国医学科学院北京协和医院 2023-08-04 CN disclosed
US-20220074958-A1 METHODS OF MONITORING SAFETY OF QUERCETIN COMPOSITIONS PUBLIC JOINT STOCK COMPANY "SCIENTIFIC INDUSTRIAL CENTRE BORSHCHAHIVSKIY CHEMICAL-PHARMACEUTICAL PLANT" (UA) 2022-03-10 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-20220074958-A1 METHODS OF MONITORING SAFETY OF QUERCETIN COMPOSITIONS NQO2, QARS1, QPCT SYNJ2 2456/4885CA12 1007/4885CA1 1439/4885

“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.