SCHEMBL19947462

SCHEMBL19947462

NOCCc1cc(-c2ccccc2)ccc1-c1cccc(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
GSTP1 P09211 2/20 0.48
MRGPRX4 Q96LA9 2/20 0.47
MAOB P27338 3/20 0.46
AGXT P21549 1/20 0.44
NR4A2 P43354 1/20 0.44
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44
HDAC4 P56524 1/20 0.44
NAAA Q02083 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
BACE1 P56817 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
CFD P00746 1/20 0.42
SMPD1 P17405 1/20 0.42
DHODH Q02127 1/20 0.41
DHFR P00374 1/20 0.41

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
SCHEMBL18076563 0.85 CYP4F2 (0.59) PTGER4PTGER3GSTP1MRGPRX4MAOB
SCHEMBL19947465 0.81 PTGER4 (0.50) PTGER4PTGER3GSTP1MRGPRX4MAOB
SCHEMBL19947470 0.81 HSD17B1 (0.47) PTGER4PTGER3AGXT
SCHEMBL18076580 0.79 PTGER4 (0.61) PTGER4PTGER3GSTP1MRGPRX4NR4A2
SCHEMBL2137838 0.78 MRGPRX4 (0.69) GSTP1MRGPRX4MAOBNR4A2HDAC4
SCHEMBL16346074 0.77 GSTP1 (0.66) PTGER4PTGER3GSTP1MRGPRX4MAOB
SCHEMBL19961835 0.77 MRGPRX4 (0.53) PTGER4PTGER3GSTP1MRGPRX4MAOB
SCHEMBL379281 0.77 MAOB (0.67) GSTP1MRGPRX4MAOBNR4A2CYP4F2
SCHEMBL2570119 0.76 MAOB (0.65) GSTP1MRGPRX4MAOBNR4A2F9
SCHEMBL3786472 0.76 MAOB (0.68) GSTP1MRGPRX4MAOBNR4A2F9

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
EP-3271320-B1 COMPOSITIONS FOR THE TREATMENT OF FIBROSIS AND FIBROSIS-RELATED CONDITIONS VECTUS BIOSYSTEMS LTD (AU) 2019-10-23 EP disclosed
EP-3271320-B1 COMPOSITIONS FOR THE TREATMENT OF FIBROSIS AND FIBROSIS-RELATED CONDITIONS VECTUS BIOSYSTEMS LTD (AU) 2019-10-23 EP disclosed
US-10035775-B2 Compositions for the treatment of fibrosis and fibrosis-related conditions VECTUS BIOSYSTEMS LIMITED (AU) 2018-07-31 US disclosed
US-10035775-B2 Compositions for the treatment of fibrosis and fibrosis-related conditions VECTUS BIOSYSTEMS LIMITED (AU) 2018-07-31 US disclosed
US-20180072682-A1 COMPOSITIONS FOR THE TREATMENT OF FIBROSIS AND FIBROSIS-RELATED CONDITIONS VECTUS BIOSYSTEMS LIMITED (AU) 2018-03-15 US disclosed
US-20180072682-A1 COMPOSITIONS FOR THE TREATMENT OF FIBROSIS AND FIBROSIS-RELATED CONDITIONS VECTUS BIOSYSTEMS LIMITED (AU) 2018-03-15 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 (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-10035775-B2 Compositions for the treatment of fibrosis and fibrosis-related conditions MMP1, COL1A1, COL2A1 PTGER4 616/4885PTGER3 644/4885GSTP1 761/4885
US-20180072682-A1 COMPOSITIONS FOR THE TREATMENT OF FIBROSIS AND FIBROSIS-RELATED CONDITIONS MMP1, COL1A1, COL2A1 PTGER4 616/4885PTGER3 644/4885GSTP1 761/4885

“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.