SCHEMBL4094437

SCHEMBL4094437

CC(=O)c1ccc(-c2ccc(O)c(Cl)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.62
ESR2 Q92731 3/20 0.58
HSD17B2 P37059 4/20 0.58
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC2 Q92769 1/20 0.50
ESR1 P03372 2/20 0.49
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
KIF11 P52732 1/20 0.46
PKM P14618 1/20 0.44
SCN9A Q15858 1/20 0.44
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ALOX5 P09917 1/20 0.42
TSHR P16473 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
SCHEMBL30837205 0.85 SCN9A (0.58) HSD17B1MAPTSMN1; SMN2KIF11SCN9A
SCHEMBL11544490 0.85 SCN9A (0.58) HSD17B1MAPTSMN1; SMN2KIF11SCN9A
SCHEMBL385758 0.84 HSP90AA1 (0.58) HSD17B1HSD17B2MAPTSMN1; SMN2HSP90AA1
SCHEMBL29911026 0.79 ESR2 (0.77) HSD17B1ESR2HSD17B2HDAC2ESR1
SCHEMBL28202577 0.79 ESR2 (0.77) HSD17B1ESR2HSD17B2HDAC2ESR1
SCHEMBL278316 0.79 ESR2 (0.77) HSD17B1ESR2HSD17B2HDAC2ESR1
SCHEMBL2560422 0.79 XDH (0.56) HSD17B1MAPTSMN1; SMN2KIF11TSHR
SCHEMBL9150363 0.78 KDM4E (0.71) HSD17B1ESR2HSD17B2MAPTSMN1; SMN2
SCHEMBL9649870 0.78 HSD17B1 (0.62) HSD17B1MAPTSMN1; SMN2HDAC2ESR1
Methane SCHEMBL10594573 0.77 ESR2 (0.74) HSD17B1ESR2HSD17B2HDAC2ESR1

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 9 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
US-5397504-A Liquid crystal KANTO KAGAKU KABUSHIKI KAISHA (JP) 1995-03-14 US disclosed
EP-0315701-B1 BIPHENYL COMPOUND KANTO KAGAKU (JP) 1993-12-29 EP disclosed
EP-0315701-A1 BIPHENYL COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 1989-05-17 EP 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 133/4885HSD17B2 1/4885

“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.