SCHEMBL3962196

SCHEMBL3962196

O=C1CCc2c1ccc(N1CCCCC1)c2-c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.40
MAPK11 Q15759 3/20 0.40
MAPK14 Q16539 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
NSD2 O96028 1/20 0.40
THRB P10828 1/20 0.40
S100A4 P26447 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
ALOX12 P18054 1/20 0.40
MAP2K1 Q02750 1/20 0.40
GSTP1 P09211 1/20 0.40
GAA P10253 1/20 0.38

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
SCHEMBL3966163 0.75 GSTP1 (0.41) MAPTMAPK1L3MBTL1POLBMEN1
SCHEMBL6299599 0.74 HDAC4 (0.46) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL3964341 0.73 GSTP1 (0.36) ALDH1A1GSTP1HDAC4HDAC2HDAC8
SCHEMBL16193407 0.73 GSTP1 (0.55) POLBMEN1KMT2AALDH1A1ALOX12
SCHEMBL30841358 0.73 GSTP1 (0.48) ALDH1A1GSTP1HDAC4HDAC2HDAC8
SCHEMBL6301925 0.71 ALDH1A1 (0.51) MAPTMEN1KMT2AALDH1A1GSTP1
SCHEMBL3968008 0.71 MAOB (0.44) MAPTL3MBTL1ALDH1A1GSTP1
SCHEMBL3969775 0.69 TAAR1 (0.41) MAPK14MAPTMAPK1POLBMEN1
SCHEMBL3964349 0.68 NPC1 (0.39) MAPTMAPK1L3MBTL1POLBMEN1
SCHEMBL3989446 0.68 HSD17B1 (0.60) ALDH1A1GSTP1HDAC4HDAC2HDAC8

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 CSNK1D 827/4885MAPK11 1040/4885MAPK14 1742/4885

“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.