SCHEMBL4095412

SCHEMBL4095412

O=C1CCCc2cc(-c3cccc(OCc4ccccc4)c3)ccc21

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.77
MAOB P27338 16/20 0.77
BRD4 O60885 1/20 0.55
HPD P32754 1/20 0.55
HSD17B1 P14061 1/20 0.52
GSTP1 P09211 1/20 0.50

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
SCHEMBL226640 0.87 MAOB (1.00) MAOAMAOB
SCHEMBL3451690 0.84 MAOB (0.94) MAOAMAOB
SCHEMBL1028352 0.82 MAOB (0.67) MAOAMAOBHSD17B1GSTP1
SCHEMBL21297626 0.81 MAOB (0.88) MAOAMAOB
SCHEMBL7584101 0.80 HSD17B1 (0.73) MAOAMAOBHSD17B1
SCHEMBL30067289 0.79 MAOB (1.00) MAOAMAOB
SCHEMBL3501723 0.79 MAOB (1.00) MAOAMAOB
SCHEMBL4085727 0.79 HSD17B1 (0.60) MAOAMAOBBRD4HSD17B1
SCHEMBL327001 0.79 MAOB (0.84) MAOAMAOB
SCHEMBL7218099 0.79 MAOB (0.82) MAOAMAOBGSTP1

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 MAOA 470/4885MAOB 494/4885BRD4 3565/4885

“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.