SCHEMBL92259

SCHEMBL92259

C#Cc1ccc(C2OCCCO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
AKR1C3 P42330 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35

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
SCHEMBL4012194 0.92 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9451018 0.82 MEN1 (0.41) CYP11B1CYP11B2MEN1CYP2C19KMT2A
SCHEMBL1779534 0.80 CYP11B1 (0.41) CYP11B1CYP11B2CA12CA2CA9
SCHEMBL511959 0.72 KDM1A (0.40) SLC6A2SLC6A4SLC6A3CYP11B1CYP11B2
SCHEMBL6236362 0.72 MEN1 (0.36) CYP11B1CYP11B2MEN1CYP2C19KMT2A
SCHEMBL19122264 0.72 TSHR (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3140395 0.72 MAPT (0.51) MEN1CYP2C19KMT2ACA12CA1
SCHEMBL5851057 0.72 MEN1 (0.34) CYP11B1CYP11B2MEN1CYP2C19KMT2A
SCHEMBL2633867 0.72 MAPK1 (0.47) SLC6A2SLC6A4SLC6A3MEN1CYP2C19
SCHEMBL3083609 0.72 RAB9A (0.44) MEN1CYP2C19KMT2AMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256126-B1 New labelling strategies for the sensitive detection of analytes BASECLICK GMBH (DE) 2015-07-01 EP disclosed
EP-2270228-B1 New labelling strategies for the sensitive detection of analytes BASECLICK GMBH (DE) 2013-08-21 EP disclosed
US-8129315-B2 Labelling strategies for the sensitive detection of analytes BASECLICK GMBH (DE) 2012-03-06 US disclosed
EP-2270228-A1 New labelling strategies for the sensitive detection of analytes baseclick GmbH (DE) 2011-01-05 EP disclosed
EP-2266996-A2 New labelling strategies for the sensitive detection of analytes baseclick GmbH (DE) 2010-12-29 EP disclosed
EP-2256126-A1 New labelling strategies for the sensitive detection of analytes baseclick GmbH (DE) 2010-12-01 EP disclosed
EP-1877415-B1 NEW LABELLING STRATEGIES FOR THE SENSITIVE DETECTION OF ANALYTES BASECLICK GMBH (DE) 2010-09-01 EP disclosed
US-20090215635-A1 LABELLING STRATEGIES FOR THE SENSITIVE DETECTION OF ANALYTES BASF SE (DE) 2009-08-27 US 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-20090215635-A1 LABELLING STRATEGIES FOR THE SENSITIVE DETECTION OF ANALYTES MTREX, ADAR, GUSB GABRP 3816/4885GABRD 3849/4885GABRA1 3576/4885

“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.