SCHEMBL4091829

SCHEMBL4091829

CCc1cc(Oc2ccc(C(C)=O)cc2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 2/20 0.52
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ESRRA P11474 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL9665607 0.84 RAB9A (0.66) MAPTHPGDRAB9AALDH1A1KMT2A
SCHEMBL6342125 0.84 ALDH1A1 (0.71) MAPTHPGDALDH1A1KMT2AMEN1
SCHEMBL14264240 0.83 HSD17B10 (0.50) ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL4090943 0.82 HSD17B10 (0.53) MAPTHPGDRAB9AALDH1A1KMT2A
SCHEMBL4086023 0.81 HSD17B1 (0.64) HPGDALDH1A1KMT2AMEN1GAA
SCHEMBL4093175 0.81 HSD17B1 (0.64) MAPTHPGDRAB9AGAAL3MBTL1
SCHEMBL24750205 0.80 MAPT (0.59) MAPTHPGDRAB9AALDH1A1KMT2A
SCHEMBL5752711 0.80 MAPT (0.59) MAPTHPGDRAB9AALDH1A1GAA
SCHEMBL4095576 0.77 STING1 (0.45) MAPTALDH1A1HSD17B10POLBHTT
SCHEMBL23507143 0.77 KMT2A (0.51) MAPTHPGDRAB9AALDH1A1KMT2A

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 MAPT 929/4885HPGD 61/4885RAB9A 3860/4885

“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.