SCHEMBL11280439

SCHEMBL11280439

O=C(Oc1ccccc1C(=O)O)c1ccc(C(=O)Oc2ccccc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
HSD17B10 Q99714 7/20 0.68
HPGD P15428 5/20 0.68
ALDH1A1 P00352 5/20 0.68
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
SLC6A3 Q01959 1/20 0.66
ESR1 P03372 3/20 0.63
ITGB3 P05106 1/20 0.63
ITGA2B P08514 1/20 0.63
HMGB1 P09429 1/20 0.63
TSHR P16473 1/20 0.63
GGT1 P19440 1/20 0.63
PTGS1 P23219 1/20 0.63
PTGS2 P35354 1/20 0.63
BLM P54132 1/20 0.63
NAPRT Q6XQN6 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
ESR2 Q92731 2/20 0.62

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
SCHEMBL11273464 0.96 KDM4E (0.64) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL30505635 0.96 SLC6A3 (0.71) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL1979275 0.96 SLC6A3 (0.71) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL8777320 0.94 SLC6A3 (0.69) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL4846409 0.93 ESR1 (0.69) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL28263594 0.92 HSD17B10 (0.72) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL30343057 0.91 KDM4E (0.58) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL14484254 0.91 KDM4E (0.58) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL1323563 0.91 KDM4E (0.61) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL11672847 0.88 SLC6A3 (0.62) KDM4EHSD17B10HPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9351980-B2 Di-aspirin derivatives THE UNIVERSITY OF WOLVERHAMPTON (GB) 2016-05-31 US disclosed
US-9351980-B2 Di-aspirin derivatives THE UNIVERSITY OF WOLVERHAMPTON (GB) 2016-05-31 US disclosed
US-20130035317-A1 Di-Aspirin Derivatives THE UNIVERISTY OF WOLVERHAMPTON (GB) 2013-02-07 US disclosed
US-20130035317-A1 Di-Aspirin Derivatives THE UNIVERISTY OF WOLVERHAMPTON (GB) 2013-02-07 US disclosed
WO-2011098839-A2 DI-ASPIRIN DERIVATIVES THE UNIVERSITY OF WOLVERHAMPTON (GB) 2011-08-18 WO disclosed
EP-0052927-A2 Stretched film structure of the poly-1,3-phenylene terephthalate type MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-06-02 EP 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-20130035317-A1 Di-Aspirin Derivatives SDHA, DLD, DPYD KDM4E 2764/4885HSD17B10 987/4885HPGD 21/4885

“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.