SCHEMBL4095859

SCHEMBL4095859

CCc1cc(-c2ccc3c(c2)CC(C=O)C3=O)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.57
TDP2 O95551 1/20 0.37
ACHE P22303 3/20 0.37
METAP1 P53582 2/20 0.36
CHEK1 O14757 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP27A1 Q02318 1/20 0.35
CYP24A1 Q07973 1/20 0.35

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
SCHEMBL4100679 0.84 HSD17B1 (0.56) HSD17B1ACHEMETAP1
SCHEMBL4085986 0.81 HSD17B1 (0.53) HSD17B1ACHEMETAP1CYP27A1CYP24A1
SCHEMBL4093483 0.78 HSD17B1 (0.50) HSD17B1ACHEMETAP1LMNAHPGD
SCHEMBL4090796 0.75 HSD17B1 (0.85) HSD17B1TDP2HPGDHSD17B10
SCHEMBL12325012 0.74 HSD17B1 (0.59) HSD17B1LMNAHPGDHSD17B10
SCHEMBL10427199 0.73 ACHE (0.65) ACHE
SCHEMBL4085867 0.73 HSD17B1 (1.00) HSD17B1HPGD
SCHEMBL4557670 0.70 HSD17B1 (0.72) HSD17B1LMNA
SCHEMBL4457870 0.68 HSD17B1 (0.48) HSD17B1HPGD
SCHEMBL21469931 0.67 HSD17B1 (0.47) HSD17B1CHEK1LMNAHSD17B10

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 HSD17B1 4/4885TDP2 2512/4885ACHE 1132/4885

“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.