SCHEMBL4096811

SCHEMBL4096811

CCc1cc(-c2ccc(O)cc2)ccc1C(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 1.00
HSD11B1 P28845 1/20 0.48
ESR1 P03372 7/20 0.42
ESR2 Q92731 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSP90AB1 P08238 1/20 0.41
DCLRE1A Q6PJP8 1/20 0.40
DCLRE1B Q9H816 1/20 0.40
ESRRB O95718 1/20 0.40
ESRRA P11474 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
ALOX5 P09917 1/20 0.39

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
SCHEMBL8271835 0.85 HSD17B1 (0.73) HSD17B1MEN1KMT2AHSP90AB1ALDH1A1
SCHEMBL4095554 0.81 HSD17B1 (0.69) HSD17B1HSD11B1ESR2ALDH1A1CYP3A4
SCHEMBL22631752 0.78 HSD17B1 (0.64) HSD17B1MEN1KMT2A
SCHEMBL26134242 0.77 HSD17B1 (0.68) HSD17B1ESR1ESR2MEN1KMT2A
SCHEMBL2720462 0.77 HSD17B1 (0.68) HSD17B1ESR1ESR2MEN1KMT2A
SCHEMBL18978424 0.77 HSD17B1 (0.62) HSD17B1DCLRE1ADCLRE1BALDH1A1ALOX5
SCHEMBL2770912 0.75 DCLRE1B (0.59) HSD17B1KMT2ADCLRE1ADCLRE1B
SCHEMBL27510448 0.75 HSD17B1 (0.59) HSD17B1HSD11B1DCLRE1ADCLRE1BHPGD
SCHEMBL4943817 0.74 HSD17B1 (0.58) HSD17B1ESR1ESR2ESRRBESRRA
SCHEMBL21132510 0.73 HSD17B1 (0.57) HSD17B1MEN1KMT2ADCLRE1ADCLRE1B

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 4 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
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 4/4885HSD11B1 11/4885ESR1 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.