Sugi Predict

Sugi Predict / Compounds / SCHEMBL1275955

SCHEMBL1275955

SCHEMBL1275955

Cc1cc(Cc2cc(C)c(O)c(C=O)c2)c(O)c(Cc2cc(C)cc(Cc3cc(C)c(O)c(C=O)c3)c2O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.50
▸ AMY1A P0DUB6 1/20 0.44
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SHBG P04278 1/20 0.41
▸ HSPA5 P11021 1/20 0.40
▸ HMGB1 P09429 1/20 0.39
▸ CXCL12 P48061 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALK Q9UM73 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPN6 P29350 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
SCHEMBL209120 0.85 ERN1 (0.52) ERN1SHBGHMGB1CXCL12LMNA
SCHEMBL31612191 0.85 ERN1 (0.52) ERN1SHBGHMGB1CXCL12LMNA
SCHEMBL31612192 0.85 ERN1 (0.52) ERN1SHBGHMGB1CXCL12LMNA
SCHEMBL30374768 0.83 AMY1A (0.55) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL1269461 0.83 AMY1A (0.55) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL31612188 0.81 ERN1 (0.69) ERN1AMY1ACYP2C9CYP2C19HIF1A
SCHEMBL210156 0.81 ERN1 (0.69) ERN1AMY1ACYP2C9CYP2C19HIF1A
SCHEMBL2754938 0.81 SHBG (0.53) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL7899901 0.78 SHBG (0.47) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL18218331 0.78 SHBG (0.72) ERN1SHBGHMGB1CXCL12LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563770-B2 Bis(formylphenyl) compound and novel polynuclear polyphenol compound derived from the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2013-10-22 — — US disclosed
US-20120289735-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-11-15 — — US disclosed
US-20110028752-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-02-03 — — 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 (2 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-20110028752-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME PAH, PCBP1, MLLT1 ERN1 3573/4885AMY1A 2005/4885CYP2C9 852/4885
US-20120289735-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME SLC11A2, PCBP1, NFE2L2 ERN1 4306/4885AMY1A 4389/4885CYP2C9 3413/4885

“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.