SCHEMBL4452694

SCHEMBL4452694

OCc1cc(C2CCCC2)cc(CO)c1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ESR2 Q92731 9/20 0.37
ESR1 P03372 6/20 0.37
ACMSD Q8TDX5 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 1/20 0.37
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CASP6 P55212 1/20 0.35
SHBG P04278 1/20 0.34
KMO O15229 1/20 0.33
PABPC1 P11940 1/20 0.32
CNR2 P34972 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL2219914 0.98 ACMSD (0.39) HDAC4HDAC2HDAC8ESR2ESR1
SCHEMBL12510597 0.82 PTPN1 (0.39) KDM4ECNR2
SCHEMBL9722928 0.80 EPHX2 (0.47) HDAC4HDAC2HDAC8ACMSDCYP3A4
SCHEMBL9999653 0.78 ESR2 (0.37) ESR2KDM4ECASP6
SCHEMBL27956345 0.77 ACMSD (0.54) HDAC4HDAC2HDAC8ESR2ESR1
SCHEMBL17029862 0.77 EPHX2 (0.42) HDAC4HDAC2HDAC8ACMSDEPHX2
SCHEMBL16850510 0.76 ALDH1A1 (0.41) HDAC4HDAC2HDAC8ESR2ESR1
SCHEMBL11629147 0.75 KDM4E (0.38) HDAC4HDAC2HDAC8ESR2ESR1
SCHEMBL9804552 0.74 BCL2 (0.47) CYP3A4
SCHEMBL778085 0.74 HDAC8 (0.43) HDAC4HDAC2HDAC8ESR2ACMSD

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 HDAC4 400/4885HDAC2 503/4885HDAC8 536/4885

“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.