SCHEMBL4100679

SCHEMBL4100679

CCc1cc(-c2ccc3c(c2)CC(C=O)C3=O)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.56
AR P10275 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
ACHE P22303 2/20 0.33
ALOX5 P09917 1/20 0.33
BACE1 P56817 1/20 0.33
METAP1 P53582 2/20 0.32
CYP19A1 P11511 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL4095859 0.84 HSD17B1 (0.57) HSD17B1ACHEMETAP1
SCHEMBL4086223 0.72 HSD17B1 (1.00) HSD17B1ARESR1ESR2
SCHEMBL3953461 0.72 HSD17B1 (0.71) HSD17B1ARGABRA1GABRB2ESR1
SCHEMBL13774778 0.71 HSD17B1 (0.73) HSD17B1METAP1
SCHEMBL4096696 0.70 HSD17B1 (0.84) HSD17B1
SCHEMBL13678958 0.70 HSD17B1 (0.75) HSD17B1ARGABRA1GABRB2ESR1
SCHEMBL4085986 0.68 HSD17B1 (0.53) HSD17B1ACHEMETAP1CYP19A1
SCHEMBL4093483 0.65 HSD17B1 (0.50) HSD17B1ACHEMETAP1CYP19A1
SCHEMBL16581416 0.65 HSD17B1 (0.62) HSD17B1ARGABRA1GABRB2ESR1
SCHEMBL2720462 0.65 HSD17B1 (0.68) HSD17B1ARGABRA1GABRB2ESR1

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-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
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
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 HSD17B1 4/4885AR 104/4885GABRA1 1793/4885

“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.