SCHEMBL2338852

SCHEMBL2338852

CC(=O)Oc1ccccc1C(=O)OC(=O)c1ccc(C(=O)OC(=O)c2ccccc2OC(C)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.63
KDM4E B2RXH2 3/20 0.63
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
PTGS2 P35354 5/20 0.61
HPGD P15428 2/20 0.61
ALDH1A1 P00352 1/20 0.61
ESR1 P03372 1/20 0.61
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
HMGB1 P09429 1/20 0.61
TSHR P16473 1/20 0.61
GGT1 P19440 1/20 0.61
PTGS1 P23219 1/20 0.61
BLM P54132 1/20 0.61
NAPRT Q6XQN6 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SLC6A3 Q01959 1/20 0.54
MAPK1 P28482 2/20 0.47

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
SCHEMBL2337247 0.95 KDM4E (0.66) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL14674298 0.94 KDM4E (0.56) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL789771 0.93 HSD17B10 (0.71) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL29669847 0.93 HSD17B10 (0.71) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL14972 0.87 HSD17B10 (0.69) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL789772 0.85 HSD17B10 (0.61) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL14674824 0.84 KDM4E (0.52) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL13537487 0.82 KMT2A (0.67) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL6948356 0.82 SLC6A3 (0.72) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL5988737 0.82 HSD17B10 (0.71) HSD17B10KDM4ELMNACYP1A2CYP2C9

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-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
WO-2011098839-A2 DI-ASPIRIN DERIVATIVES THE UNIVERSITY OF WOLVERHAMPTON (GB) 2011-08-18 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 (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 HSD17B10 987/4885KDM4E 2764/4885LMNA 4485/4885

“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.