SCHEMBL4093175

SCHEMBL4093175

CCc1cc(Oc2ccc(C(C)=O)cc2)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.64
ESRRA P11474 2/20 0.61
MAPT P10636 2/20 0.61
HPGD P15428 1/20 0.61
RAB9A P51151 1/20 0.61
PKM P14618 1/20 0.51
POLB P06746 2/20 0.49
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LTB4R Q15722 2/20 0.45
LTB4R2 Q9NPC1 2/20 0.45
GAA P10253 1/20 0.45
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.44
STS P08842 1/20 0.44
BACE1 P56817 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL921473 0.86 ESR1 (0.52) HSD17B1ESRRAMAPTPKMHSP90AA1
SCHEMBL5752711 0.83 MAPT (0.59) HSD17B1ESRRAMAPTHPGDRAB9A
SCHEMBL4091829 0.81 MAPT (0.58) ESRRAMAPTHPGDRAB9APOLB
SCHEMBL385574 0.81 PKM (0.75) HSD17B1HPGDPKMPOLBHSP90AA1
SCHEMBL8636430 0.80 LTA4H (0.59) MAPTHPGDPKMPOLBHSP90AA1
SCHEMBL921158 0.80 ESR1 (0.46) HSD17B1MAPTPKMPOLBHSP90AA1
SCHEMBL203697 0.78 HPGD (1.00) ESRRAMAPTHPGDRAB9APOLB
SCHEMBL3301210 0.78 HPGD (1.00) ESRRAMAPTHPGDRAB9APOLB
SCHEMBL4096708 0.78 HSD17B1 (1.00) HSD17B1MAPTHPGDPKMPOLB
SCHEMBL680470 0.78 MAPT (0.73) ESRRAMAPTHPGDRAB9APOLB

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 4/4885ESRRA 33/4885MAPT 929/4885

“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.