SCHEMBL4086209

SCHEMBL4086209

CCOC(=O)CC1Cc2cc(-c3ccc(OCc4ccccc4)c(F)c3)ccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
S1PR5 Q9H228 1/20 0.43
HSD17B1 P14061 1/20 0.40
FFAR1 O14842 7/20 0.40
PPARD Q03181 6/20 0.40
PPARG P37231 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CTSA P10619 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SLK Q9H2G2 1/20 0.37
FEN1 P39748 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL4085279 0.81 HSD17B1 (0.45) HSD17B1CYP11B1CYP11B2
SCHEMBL4093483 0.77 HSD17B1 (0.50) HSD17B1
SCHEMBL19158973 0.75 ERN1 (0.53) ERN1FFAR1PPARDMRGPRX4CTSA
SCHEMBL7737589 0.73 METAP1 (0.52)
SCHEMBL8993210 0.71 ERN1 (0.56) ERN1S1PR5FFAR1PPARDMRGPRX4
SCHEMBL27536787 0.71 S1PR5 (0.53) S1PR5FFAR1PPARDPPARGMRGPRX4
SCHEMBL9854934 0.70 METAP1 (0.60) PPARG
SCHEMBL13424043 0.69 FFAR1 (0.51) S1PR5FFAR1PPARDPPARG
SCHEMBL14513314 0.68 ERN1 (0.54) ERN1S1PR5FFAR1PPARDMRGPRX4
SCHEMBL10093047 0.68 ERN1 (0.55) ERN1S1PR5FFAR1PPARDMRGPRX4

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-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 ERN1 2125/4885S1PR5 2779/4885HSD17B1 4/4885

“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.