SCHEMBL769505

SCHEMBL769505

C(CCCCCCC1CC1)CCCCCC1CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
CYP1A2 P05177 1/20 0.43
KDM5A P29375 4/20 0.40
PHF8 Q9UPP1 4/20 0.40
KDM2A Q9Y2K7 4/20 0.40
KDM4C Q9H3R0 3/20 0.40
KDM7A Q6ZMT4 1/20 0.40
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.32
KDM4A O75164 1/20 0.32
EPHX1 P07099 1/20 0.32
LSS P48449 2/20 0.31
PKM P14618 1/20 0.31
SLC18A3 Q16572 1/20 0.31

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
SCHEMBL5179125 0.87
SCHEMBL10570592 0.84 CYP1A2 (0.52) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL6753110 0.84 CYP1A2 (0.59) SIGMAR1CYP1A2HTTLMNAMAPK1
SCHEMBL330316 0.84 SIGMAR1 (0.42) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL129838 0.84
SCHEMBL2048536 0.84
SCHEMBL3390757 0.84 SIGMAR1 (0.42) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL1534917 0.84 SIGMAR1 (0.42) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL6749100 0.84 CYP1A2 (0.59) SIGMAR1CYP1A2HTTLMNAMAPK1
SCHEMBL131734 0.84 SIGMAR1 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142178-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA KAREUS THERAPEUTICS, SA (CH) 2014-05-22 US disclosed
US-20140121267-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA KAREUS THERAPEUTICS, SA (CH) 2014-05-01 US disclosed
US-8623897-B2 Methods and compositions for treatment of diabetes and dyslipidemia KAREUS THERAPEUTICS, SA (CH) 2014-01-07 US disclosed
US-20120071528-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA KAREUS THERAPEUTICS, SA (CH) 2012-03-22 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 (3 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-20120071528-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA LIPC, PNLIP, LIPA SIGMAR1 3578/4885CYP1A2 655/4885KDM5A 2708/4885
US-20140121267-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA GPR119, FFAR1, INSR SIGMAR1 204/4885CYP1A2 699/4885KDM5A 3800/4885
US-20140142178-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA DHCR7, INSR, GPR119 SIGMAR1 307/4885CYP1A2 659/4885KDM5A 4570/4885

“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.