SCHEMBL3971870

SCHEMBL3971870

O=C(O)C=C1CCc2c1ccc(NCCc1ccccc1)c2-c1ccc2ccccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MTOR P42345 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RCE1 Q9Y256 1/20 0.34
DRD4 P21917 1/20 0.34
PDE4B Q07343 1/20 0.34
PKM P14618 2/20 0.34
ASPH Q12797 1/20 0.34

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
SCHEMBL3971864 1.00 RAB9A (0.35) RAB9ANPC1MTORSIRT2MAPT
SCHEMBL3965744 0.88 MAPT (0.38) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL3965739 0.88 MAPT (0.38) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL3969775 0.83 TAAR1 (0.41) RAB9ANPC1MTORSIRT2MAPT
SCHEMBL3971865 0.77 ACHE (0.37) KMT2AMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL3966007 0.71 FFAR4 (0.37) PDE4BCYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3962205 0.65 MCL1 (0.39) NPC1MAPT
SCHEMBL3966163 0.64 GSTP1 (0.41) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL3961968 0.60 TAAR1 (0.48) RAB9ANPC1MTORSIRT2MAPT
SCHEMBL11059596 0.60 RAB9A (0.77) RAB9ANPC1MTORSIRT2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R RAB9A 2296/4885NPC1 1826/4885MTOR 1781/4885

“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.