SCHEMBL2397874

SCHEMBL2397874

Cc1s[c]nc1-c1ccc(CC(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 4/20 0.37
PTGS2 P35354 4/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 2/20 0.37
AKR1C3 P42330 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
AKR1C2 P52895 2/20 0.37
ALB P02768 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX5 P09917 1/20 0.37
RARB P10826 1/20 0.37
ADRB3 P13945 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR2A P28223 1/20 0.37
NR1I3 Q14994 1/20 0.37
SLC22A6 Q4U2R8 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
SCHEMBL2398650 0.81 SMN1; SMN2 (0.50) MAPTGAALMNARARBPOLB
SCHEMBL17628675 0.80 SMN1; SMN2 (0.35) RARBSMN1; SMN2
SCHEMBL2402522 0.79 S1PR1 (0.33)
SCHEMBL17626018 0.74 ALDH1A1 (0.37) MAPTKDM4EPTGS2RARBMEN1
SCHEMBL17626168 0.74 ALDH1A1 (0.38) GAAPTGS2TSHRALDH1A1
SCHEMBL17625973 0.74 KDM4E (0.40) MAPTKDM4EGAAPTGS1PTGS2
SCHEMBL1916781 0.72 XDH (0.41) MAPTPTGS1PTGS2LMNACYP2C9
SCHEMBL30486190 0.72 MAPT (0.39) MAPTKDM4EGAAPTGS1PTGS2
SCHEMBL2397319 0.71 KIF11 (0.41) KDM4ETSHRKMT2APOLBALDH1A1
SCHEMBL1436527 0.70 MKNK1 (0.42) KDM4ELMNAMEN1KMT2ADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US claimed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP claimed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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 (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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC MAPT 1763/4885KDM4E 3636/4885GAA 60/4885

“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.