SCHEMBL5883485

SCHEMBL5883485

BrCCCCCCC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.60
CYP1A2 P05177 1/20 0.52
KDM5A P29375 3/20 0.40
PHF8 Q9UPP1 3/20 0.40
KDM2A Q9Y2K7 3/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM4A O75164 1/20 0.40
EPHX1 P07099 1/20 0.38
NAAA Q02083 2/20 0.37
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL29263636 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL7615078 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL29273205 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL11022414 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL7614743 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL7614811 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL7619522 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL7613945 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL7618517 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL2111227 1.00 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A

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
US-7091357-B2 Chain-modified pyridino-N substituted nicotine compounds for use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2006-08-15 US disclosed
US-20030225142-A1 Chain-modified pyridino-N substituted nicotine compounds for use in the treatment of CNS pathologies UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2003-12-04 US disclosed
CN-1105558-C 2,2-dichloroalkane carboxylic acids, process for preparing the same, medicament containing the same and use for treating insulin resistance ROCHE DIAGNOSTICS GMBH (DE) 2003-04-16 CN disclosed
EP-0790824-B1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE ROCHE DIAGNOSTICS GMBH (DE) 2002-02-06 EP disclosed
US-5968982-A TREATMENT OF DIABETES ROCHE DIAGNOSTICS GMBH (DE) 1999-10-19 US disclosed
CN-1171050-A 2, 2-Dichloroalkanecarboxylic acids, method for the production thereof, medicaments containing the same and use thereof for the treatment of insulin resistance BOEHRINGER MANNHEIM GMBH (DE) 1998-01-21 CN disclosed
EP-0790824-A1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE Roche Diagnostics GmbH (DE) 1997-08-27 EP disclosed
WO-1996015784-A2 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE BOEHRINGER MANNHEIM GMBH (DE) 1996-05-30 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-20030225142-A1 Chain-modified pyridino-N substituted nicotine compounds for use in the treatment of CNS pathologies CHRNA4, CHRNA2, CHRNA5 SIGMAR1 152/4885CYP1A2 744/4885KDM5A 2241/4885

“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.