SCHEMBL2155391

SCHEMBL2155391

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCC(O)C(O)(O)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
INPP5D Q92835 1/20 0.62
NPC1L1 Q9UHC9 4/20 0.59
CDC25A P30304 3/20 0.57
USP2 O75604 3/20 0.57
LMNA P02545 3/20 0.57
MEN1 O00255 1/20 0.57
TP53 P04637 1/20 0.57
KMT2A Q03164 1/20 0.57
POLA1 P09884 1/20 0.56
OSBP P22059 2/20 0.54
OSBP2 Q969R2 2/20 0.54
CDC25B P30305 1/20 0.54
SRD5A1 P18405 3/20 0.53
SRD5A2 P31213 3/20 0.53
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53
ST6GAL1 P15907 1/20 0.53
ABCB1 P08183 1/20 0.52

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
SCHEMBL16225843 1.00 CYP2D6 (0.63) CYP2D6CYP2C19INPP5DNPC1L1CDC25A
SCHEMBL16227067 1.00 CYP2D6 (0.63) CYP2D6CYP2C19INPP5DNPC1L1CDC25A
SCHEMBL16906787 0.90 OSBP (0.53) CYP2D6CYP2C19INPP5DUSP2LMNA
SCHEMBL9580263 0.89 OSBP (0.53) CYP2D6CYP2C19INPP5DNPC1L1CDC25A
SCHEMBL23359045 0.89 ST6GAL1 (0.51) CYP2D6CYP2C19INPP5DNPC1L1CDC25A
SCHEMBL6651462 0.89 ST6GAL1 (0.51) CYP2D6CYP2C19INPP5DNPC1L1CDC25A
SCHEMBL22495528 0.89 GPBAR1 (0.56) CYP2D6CYP2C19CDC25AUSP2LMNA
SCHEMBL22572509 0.87 GPBAR1 (0.62) USP2LMNAMEN1TP53KMT2A
SCHEMBL1492167 0.87 CYP2D6 (0.61) CYP2D6CYP2C19INPP5DNPC1L1CDC25A
SCHEMBL6064374 0.87 GPBAR1 (0.56) CDC25AUSP2LMNAMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11313866-B2 Method of diagnosing and treating asphyxia INFANDX AG (DE) 2022-04-26 US disclosed
US-10514383-B2 Diagnosis and treatment of neonatal encephalopathy INFANDX AG (DE) 2019-12-24 US disclosed
US-20180011111-A1 Method of Diagnosing and Treating Asphyxia INFANDX AG (DE) 2018-01-11 US disclosed
US-9791459-B2 Method of diagnosing and treating asphyxia INFANDX AG (DE) 2017-10-17 US disclosed
US-9085602-B1 Facial amphiphiles and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2015-07-21 US disclosed
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
US-20140308687-A1 Method and Use of Metabolites for the Diagnosis and Differentiation of Neonatal Encephalopathy INFANDX AG (DE) 2014-10-16 US disclosed
EP-2771696-A2 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY InfanDx AG (DE) 2014-09-03 EP disclosed
WO-2013060788-A2 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY INFANDX AG (DE) 2013-05-02 WO disclosed
EP-2587264-A1 Method and use of metabolites for the diagnosis and differentiation of neonatal encephalopathy InfanDx AG (DE) 2013-05-01 EP disclosed
EP-2529229-A1 DIAGNOSING PROSTATE CANCER RELAPSE IMG Institut für medizinische Genomforschung Planungsgesellschaft M.B.H. (AT) 2012-12-05 EP disclosed
US-20120136581-A1 Method of Diagnosing Asphyxia BIOCRATES LIFE SCIENCES AG (AT) 2012-05-31 US disclosed
WO-2011092286-A1 DIAGNOSING PROSTATE CANCER RELAPSE IMG INSTITUT FÜR MEDIZINISCHE GENOMFORSCHUNG PLANUNGSGESELLSCHAFT M.B.H. (AT) 2011-08-04 WO disclosed
WO-2011080184-A1 USE OF ENDOGENOUS METABOLITES FOR EARLY DIAGNOSING SEPSIS BIOCRATES LIFE SCIENCES AG (AT) 2011-07-07 WO disclosed
EP-0813595-A1 STIMULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1997-12-29 EP disclosed
WO-1996027658-A1 STIMULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1996-09-12 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 CYP2D6 1097/4885CYP2C19 3083/4885INPP5D 4454/4885

“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.