SCHEMBL4564703

SCHEMBL4564703

C=CCc1cc(Cc2cccc(C=O)c2O)c(O)c(Cc2cccc(C=O)c2O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ERN1 O75460 3/20 0.41
AKR1B1 P15121 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 4/20 0.39
ALOX12 P18054 2/20 0.39
HTT P42858 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 3/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR2 O60603 1/20 0.36

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
SCHEMBL617923 0.81 GABRA1 (0.61) GABRA1GABRB2ERN1AKR1B1KMT2A
SCHEMBL29952629 0.81 GABRA1 (0.61) GABRA1GABRB2ERN1AKR1B1KMT2A
SCHEMBL8444934 0.81 ERN1 (0.59) GABRA1GABRB2ERN1KMT2AMEN1
SCHEMBL4564731 0.80 TNKS (0.36) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL12277261 0.77 GABRA1 (0.56) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL4557187 0.77 CDK1 (0.49) GABRA1GABRB2ERN1AKR1B1KMT2A
SCHEMBL9804631 0.77 PTPN1 (0.50) TNKSPARP1
SCHEMBL8653490 0.77 KDM4E (0.44) GABRA1GABRB2ERN1AKR1B1KMT2A
SCHEMBL4423140 0.75 ERN1 (0.52) ERN1KMT2AMEN1LMNATLR2
SCHEMBL9765498 0.74 PTPN1 (0.47) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7586009-B2 Bis-(hydroxybenzaldehyde) compound and novel polynuclear polyphenol compound derived therefrom and method for production thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-08 US disclosed
US-20090076310-A1 NOVEL BIS-(HYDROXYBENZALDEHYDE) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED THEREFROM AND METHOD FOR PRODUCTION THEREOF HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-03-19 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-20090076310-A1 NOVEL BIS-(HYDROXYBENZALDEHYDE) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED THEREFROM AND METHOD FOR PRODUCTION THEREOF DDT, PAH, HPD GABRA1 464/4885GABRB2 228/4885ERN1 4774/4885

“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.