SCHEMBL209836

SCHEMBL209836

CC(C)(c1ccc(O)c(C=O)c1)c1ccc(O)c(C=O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.55
ERN1 O75460 11/20 0.52
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KLF10 Q13118 1/20 0.48
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CDK1 P06493 1/20 0.46
RORC P51449 1/20 0.44
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
ESR2 Q92731 1/20 0.42

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
SCHEMBL15746144 0.93 ESR1 (0.69) ESR1ERN1MAPTSMN1; SMN2KLF10
SCHEMBL10331735 0.93 ESR1 (0.55) ESR1ERN1MAPTSMN1; SMN2KLF10
SCHEMBL3450817 0.91 ESR1 (0.47) ESR1ERN1MAPTSMN1; SMN2KLF10
SCHEMBL9291079 0.91 ESR1 (0.52) ESR1ERN1MAPTSMN1; SMN2KLF10
SCHEMBL15746146 0.91 ESR1 (0.56) ESR1ERN1MAPTSMN1; SMN2KLF10
SCHEMBL3451314 0.88 ESR1 (0.50) ESR1ERN1MAPTSMN1; SMN2KLF10
SCHEMBL332380 0.88 MAPT (0.62) ERN1MAPTSMN1; SMN2ALOX15CDK1
SCHEMBL11417093 0.86 MAPT (0.61) ERN1MAPTSMN1; SMN2ALOX15CDK1
SCHEMBL16130218 0.86 ERN1 (0.50) ERN1MAPTSMN1; SMN2CDK1TRIM24
SCHEMBL14849044 0.85 ERN1 (0.49) ERN1MAPTSMN1; SMN2CDK1TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110204485-B Synthesis method and application of bis-salicylaldehyde-condensed 2-pyridine formhydrazide Schiff base 哈尔滨理工大学 2022-08-09 CN claimed
US-RE43067-E1 Method for producing new polynuclear poly(formylphenol) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-01-03 US disclosed
US-7875743-B2 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
US-7750190-B2 reacting hexamethylene tetramine in presence of acid; industrial scale; photoresists HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-07-06 US disclosed
US-20100016633-A1 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-01-21 US disclosed
WO-2009116665-A1 PROCESS FOR PRODUCTION OF 2-HYDROXYARYL ALDEHYDE COMPOUND 日産化学工業株式会社 (JP) 2009-09-24 WO disclosed
US-20090182175-A1 METHOD FOR PRODUCING NEW POLYNUCLEAR POLY(FORMYLPHENOL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2009-07-16 US disclosed
WO-2008142316-A1 CYCLODEXTRINE OLIGOMERS AS VECTORS OF ACTIVATED MOLECULES BIOCYDEX (FR) 2008-11-27 WO 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-20090182175-A1 METHOD FOR PRODUCING NEW POLYNUCLEAR POLY(FORMYLPHENOL) PCBP1, FPR2, PNKP ESR1 4141/4885ERN1 2895/4885MAPT 3943/4885
US-20100016633-A1 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base PAH, PGM2, HNMT ESR1 2989/4885ERN1 3647/4885MAPT 3944/4885

“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.