SCHEMBL5419620

SCHEMBL5419620

CC(C)c1cc(Cc2cc(C=O)c(O)c(C(C)C)c2)cc(C=O)c1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.44
ERN1 O75460 3/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
DHFR P00374 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TYR P14679 1/20 0.40
GABRA1 P14867 4/20 0.38
GABRB1 P18505 4/20 0.38
GABRB2 P47870 2/20 0.38
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRA6 Q16445 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL15922982 0.86 GSR (0.42) GSRERN1CA1CA2MAPT
SCHEMBL27822185 0.81 GABRA1 (0.44) GSRERN1CA1CA2MAPT
SCHEMBL15151800 0.81 PTGS2 (0.45) GSRGABRA1GABRB1GABRB2GABRA5
SCHEMBL9174814 0.80 ERN1 (0.56) ERN1MAPTLMNA
SCHEMBL2467528 0.80 GSR (0.63) GSRCA1CA2DHFRMAPT
SCHEMBL7248031 0.80 PTGS2 (0.46) LMNAGABRA1GABRB1GABRB2GABRA5
SCHEMBL10080184 0.80 GABRA1 (0.43) GSRERN1CA1CA2MAPT
SCHEMBL1121537 0.78 GSR (0.61) GSRCA1CA2DHFRMAPT
SCHEMBL3965396 0.78 GABRA1 (0.57) ERN1CA1CA2TYRGABRA1
SCHEMBL310863 0.78 ERN1 (0.67) ERN1CA1CA2LMNATYR

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-20070232839-A1 NOVEL POLYNUCLEAR POLYPHENOL COMPOUND HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2007-10-04 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-20070232839-A1 NOVEL POLYNUCLEAR POLYPHENOL COMPOUND TPR, PCNA, NCOA4 GSR 1527/4885ERN1 3435/4885CA1 4808/4885

“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.