SCHEMBL4085986

SCHEMBL4085986

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.53
DGAT1 O75907 1/20 0.43
METAP1 P53582 2/20 0.41
CYP27A1 Q02318 1/20 0.39
CYP24A1 Q07973 1/20 0.39
ACHE P22303 3/20 0.39
CYP19A1 P11511 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL4093483 0.88 HSD17B1 (0.50) HSD17B1METAP1ACHECYP19A1
SCHEMBL4095859 0.81 HSD17B1 (0.57) HSD17B1METAP1CYP27A1CYP24A1ACHE
SCHEMBL4101697 0.79 HSD17B1 (0.57) HSD17B1ACHE
SCHEMBL4102704 0.79 HSD17B1 (0.55) HSD17B1
SCHEMBL6272399 0.78 METAP1 (0.65) METAP1CYP27A1CYP24A1ACHECYP19A1
SCHEMBL4104783 0.78 HSD17B1 (0.80) HSD17B1
SCHEMBL11076729 0.78 ACHE (0.56) ACHE
SCHEMBL4101945 0.72 DGAT1 (0.64) DGAT1CYP27A1CYP24A1CYP19A1PPARD
SCHEMBL13774777 0.72 DGAT1 (0.64) DGAT1CYP27A1CYP24A1CYP19A1PPARD
SCHEMBL9048859 0.72 CYP19A1 (0.58) DGAT1METAP1CYP24A1ACHECYP19A1

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 4/4885DGAT1 1072/4885METAP1 1681/4885

“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.