SCHEMBL930476

SCHEMBL930476

COc1c(Cc2ccc(-c3ccc(C(=O)O)cc3)c(C=O)c2OC)ccc(-c2ccc(C(=O)O)cc2)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.42
ERN1 O75460 4/20 0.41
RXRA P19793 1/20 0.40
EGFR P00533 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FOLH1 Q04609 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SRD5A2 P31213 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAP4K4 O95819 1/20 0.36

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
SCHEMBL931515 0.88 ALDH1A1 (0.45) ERN1EGFRCA1CA2ALDH1A1
SCHEMBL29152929 0.69 CYP2C8 (0.52) CYP2C8RXRAEGFRCA1CA2
SCHEMBL30719082 0.69 CYP2C8 (0.52) CYP2C8RXRAEGFRCA1CA2
SCHEMBL29788180 0.69 CA1 (0.51) CYP2C8ERN1RXRAEGFRCA1
SCHEMBL2044179 0.69 CA1 (0.51) CYP2C8ERN1RXRAEGFRCA1
SCHEMBL21182646 0.68 RXRA (0.64) CYP2C8ERN1RXRAEGFRCA1
SCHEMBL5581789 0.68 ERN1 (0.47) ERN1RXRAEGFRCA1CA2
SCHEMBL21708057 0.67 CYP2C8 (0.50) CYP2C8ERN1RXRAEGFRCA1
SCHEMBL4603322 0.67 CA1 (0.49) CYP2C8ERN1RXRAEGFRCA1
SCHEMBL28188288 0.67 CA1 (0.49) CYP2C8ERN1RXRAEGFRCA1

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-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-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

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-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 CYP2C8 840/4885ERN1 3647/4885RXRA 2980/4885

“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.