SCHEMBL4447336

SCHEMBL4447336

Cc1cc(C(c2cc(C)c(O)cc2C)c2cc(Cc3cc(C)c(C)c(Cc4ccc(O)c(C(c5cc(C)c(O)cc5C)c5cc(C)c(O)cc5C)c4)c3O)ccc2O)c(C)cc1O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
THRA P10827 14/20 0.38
THRB P10828 14/20 0.38
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
AMY1A P0DUB6 1/20 0.30

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
SCHEMBL4449535 0.88 THRA (0.35) ESR1ESR2THRATHRBCYP2D6
SCHEMBL1417388 0.85 AMY1A (0.45) ESR1ESR2THRATHRBCYP1A2
SCHEMBL4455311 0.83 NUDT1 (0.34) ESR1ESR2THRATHRB
SCHEMBL4451915 0.83 NUDT1 (0.37) THRATHRB
SCHEMBL2201491 0.83 ESR1 (0.56) ESR1ESR2THRATHRBCYP1A2
SCHEMBL4449524 0.82 ESR1 (0.41) ESR1ESR2THRATHRBCYP1A2
SCHEMBL4456963 0.81 ESR1 (0.40) ESR1ESR2THRATHRBCYP1A2
SCHEMBL7526030 0.81 ESR1 (0.59) ESR1ESR2THRATHRBCYP1A2
SCHEMBL16664780 0.81 ESR1 (0.39) ESR1ESR2THRATHRBCYP1A2
SCHEMBL12799169 0.80 ESR1 (0.53) ESR1ESR2THRATHRBCYP1A2

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 ESR1 1880/4885ESR2 2910/4885THRA 4430/4885

“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.