SCHEMBL4091247

SCHEMBL4091247

CC(=O)c1ccc(-c2ccc(O)cc2)c(C)c1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.81
ESR2 Q92731 4/20 0.50
ESR1 P03372 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RARB P10826 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.43
ADH5 P11766 1/20 0.43
S100A4 P26447 1/20 0.42
CA5A P35218 1/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL4101247 0.89 HSD17B1 (1.00) HSD17B1ESR2ESR1SMN1; SMN2MMP2
SCHEMBL7752136 0.86 HSD17B1 (0.65) HSD17B1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6562840 0.86 HSD17B1 (0.65) HSD17B1ESR2ESR1SMN1; SMN2HTT
SCHEMBL5608472 0.84 HSD17B1 (0.62) HSD17B1ESR2SMN1; SMN2MAPTNPC1
SCHEMBL2561933 0.82 HSD17B1 (0.70) HSD17B1ESR1SMN1; SMN2MAPTRARB
SCHEMBL23512352 0.81 HSD17B1 (0.59) HSD17B1MAPTNPC1RAB9ARARB
SCHEMBL6883774 0.81 HSD17B1 (0.59) HSD17B1ESR2ESR1SMN1; SMN2HTT
SCHEMBL4090955 0.81 HSD17B1 (0.59) HSD17B1SMN1; SMN2MAPTNPC1
SCHEMBL28663418 0.79 CA12 (0.65) HSD17B1ESR2ESR1SMN1; SMN2MAPT
SCHEMBL7166892 0.79 HSD17B1 (0.75) HSD17B1ESR2ESR1SMN1; SMN2RARB

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 4/4885ESR2 133/4885ESR1 286/4885

“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.