SCHEMBL23318538

SCHEMBL23318538

O=C1NC(O)C(Cc2cc(-c3ccccc3)ccc2-c2cccc(O)c2)O1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.39
HSD17B1 P14061 3/20 0.38
HSD17B2 P37059 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
AKR1C3 P42330 2/20 0.36
CYP26A1 O43174 2/20 0.35
GAPDH P04406 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
DHODH Q02127 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
CHEK1 O14757 1/20 0.33
WEE1 P30291 1/20 0.33
GPR84 Q9NQS5 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
SCHEMBL19826480 0.79 TDP2 (0.42) TDP2HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL18076579 0.75 TDP2 (0.43) TDP2HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL19947472 0.72 TDP2 (0.47) TDP2HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL19826497 0.72 CYP26A1 (0.45) TDP2HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL19826793 0.71 HSD17B1 (0.57) TDP2HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL18076565 0.70 HSD17B1 (0.52) TDP2HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL18076597 0.69 HSD17B1 (0.53) TDP2HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL18670104 0.68 PTGER4 (0.67) TDP2HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL19961832 0.68 TDP2 (0.47) TDP2HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL18687702 0.68 HSD17B1 (0.52) HSD17B1HSD17B2CYP3A4CYP2C9PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130301-A1 COMPOSITIONS FOR THE TREATMENT OF PULMONARY FIBROSIS VECTUS BIOSYSTEMS LIMITED (AU) 2021-05-06 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-20210130301-A1 COMPOSITIONS FOR THE TREATMENT OF PULMONARY FIBROSIS ELANE, MMP1, CCL11 TDP2 4361/4885HSD17B1 1399/4885HSD17B2 1649/4885

“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.