SCHEMBL8545309

SCHEMBL8545309

COc1c(C)cc(Br)cc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.71
KDM4E B2RXH2 6/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 7/20 0.52
MAPT P10636 6/20 0.52
GAA P10253 2/20 0.52
HTT P42858 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 2/20 0.45
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
HPGD P15428 3/20 0.44
GPR35 Q9HC97 1/20 0.43

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
SCHEMBL3599330 0.84 KDM4E (0.58) HSD17B10KDM4EPKMALDH1A1MAPT
SCHEMBL7813490 0.83 HSD17B10 (1.00) HSD17B10KDM4EALDH1A1MAPTHTT
SCHEMBL27484085 0.81 HSD17B10 (0.56) HSD17B10KDM4EPKMALDH1A1MAPT
SCHEMBL10355393 0.81 HSD17B10 (0.71) HSD17B10KDM4EPKMALDH1A1MAPT
SCHEMBL30745046 0.81 HSD17B10 (0.71) HSD17B10KDM4EPKMALDH1A1MAPT
SCHEMBL1188761 0.81 HSD17B10 (0.71) HSD17B10KDM4EPKMALDH1A1MAPT
SCHEMBL10920134 0.81 KDM4E (0.55) HSD17B10KDM4EPKMALDH1A1MAPT
SCHEMBL19897381 0.80 HSD17B10 (0.69) HSD17B10KDM4EPKMALDH1A1MAPT
SCHEMBL31096300 0.80 HSD17B10 (0.69) HSD17B10KDM4EALDH1A1MAPTGAA
SCHEMBL9191019 0.79 KDM4E (0.53) HSD17B10KDM4EPKMALDH1A1MAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755944-B1 BIARYLDERIVATIVES,THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2017-06-14 EP disclosed
EP-2755944-B1 BIARYLDERIVATIVES,THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2017-06-14 EP disclosed
US-9624159-B2 Aniline derivatives, their preparation and their therapeutic application SANOFI (FR) 2017-04-18 US disclosed
US-9624159-B2 Aniline derivatives, their preparation and their therapeutic application SANOFI (FR) 2017-04-18 US disclosed
US-9624159-B2 Aniline derivatives, their preparation and their therapeutic application SANOFI (FR) 2017-04-18 US disclosed
US-20160199330-A1 ANILINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2016-07-14 US disclosed
US-20160199330-A1 ANILINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2016-07-14 US disclosed
US-20160199330-A1 ANILINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2016-07-14 US disclosed
US-9249085-B2 Aniline derivatives, their preparation and their therapeutic application FOVEA PHARMACEUTICALS (FR) 2016-02-02 US disclosed
US-9249085-B2 Aniline derivatives, their preparation and their therapeutic application FOVEA PHARMACEUTICALS (FR) 2016-02-02 US disclosed
US-20140350019-A1 ANILINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2014-11-27 US disclosed
EP-2755944-A2 ANILINE DERIVATIVES,THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Fovea Pharmaceuticals (FR) 2014-07-23 EP disclosed
WO-2013037705-A9 ANILINE DERIVATIVES,THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-09-06 WO disclosed
WO-2013037705-A9 ANILINE DERIVATIVES,THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-09-06 WO disclosed
WO-2013037705-A2 ANILINE DERIVATIVES,THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-03-21 WO disclosed
WO-2013037705-A2 ANILINE DERIVATIVES,THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-03-21 WO disclosed
EP-0654023-B1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-16 EP disclosed
US-5523299-A ADMINISTERING IN TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 1996-06-04 US disclosed
EP-0654023-A1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-05-24 EP disclosed
WO-1994003426-A1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-02-17 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 (2 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-20140350019-A1 ANILINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CYP11B1, CYP11B2, ARG2 HSD17B10 456/4885KDM4E 3932/4885PKM 2430/4885
US-20160199330-A1 ANILINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CYP11B1, ARG2, CYP11B2 HSD17B10 471/4885KDM4E 3938/4885PKM 2420/4885

“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.