SCHEMBL4452429

SCHEMBL4452429

Cc1cc(Cc2ccc(O)c(C(c3ccc(O)c(C(C)(C)C)c3)c3ccc(O)c(C(C)(C)C)c3)c2)c(O)c(Cc2ccc(O)c(C(c3ccc(O)c(C(C)(C)C)c3)c3ccc(O)c(C(C)(C)C)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.47
CYP2C19 P33261 4/20 0.47
HIF1A Q16665 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSPA5 P11021 2/20 0.44
AMY1A P0DUB6 1/20 0.41
CYP2D6 P10635 4/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 3/20 0.36
TYR P14679 2/20 0.36
ALOX15 P16050 2/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
MIF P14174 1/20 0.36
HTT P42858 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL4450887 0.85 ESR1 (0.46) CYP2C9CYP2C19HIF1ASMN1; SMN2HSPA5
SCHEMBL4461680 0.84 CYP2C9 (0.46) CYP2C9CYP2C19HIF1ASMN1; SMN2HSPA5
SCHEMBL4450286 0.84 AMY1A (0.44) CYP2C9CYP2C19HIF1ASMN1; SMN2AMY1A
SCHEMBL4463547 0.83 AMY1A (0.46) CYP2C9CYP2C19HIF1ASMN1; SMN2HSPA5
SCHEMBL4449573 0.81 THRA (0.42) CYP2C9CYP2C19HIF1ASMN1; SMN2AMY1A
SCHEMBL4456786 0.81 AMY1A (0.46) CYP2C9CYP2C19HIF1ASMN1; SMN2HSPA5
SCHEMBL8772256 0.79 HSPA5 (0.68) CYP2C9CYP2C19HIF1ASMN1; SMN2HSPA5
SCHEMBL4463472 0.76 NUDT1 (0.43) AMY1ATHRATHRBHSP90AA1
SCHEMBL1417388 0.74 AMY1A (0.45) CYP2C9CYP2C19HIF1ASMN1; SMN2HSPA5
SCHEMBL699786 0.74 HSPA5 (0.51) CYP2C9CYP2C19HIF1ASMN1; SMN2HSPA5

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 CYP2C9 1583/4885CYP2C19 1604/4885HIF1A 2768/4885

“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.