SCHEMBL4115804

SCHEMBL4115804

COc1c(C)cccc1C(=O)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL13883807 0.87 ALDH1A1 (0.66) PKMTSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL17502639 0.86 HTT (0.61) ALDH1A1HTTKMT2AGAAPOLB
SCHEMBL4125131 0.85 NPSR1 (0.56) PKML3MBTL1TSHRSMN1; SMN2ALDH1A1
SCHEMBL12187440 0.83 ALDH1A1 (0.50) PKML3MBTL1TSHRSMN1; SMN2ALDH1A1
SCHEMBL12569441 0.83 PKM (0.60) PKMSMN1; SMN2ALDH1A1NPSR1HTT
SCHEMBL10013747 0.83 HTT (0.72) PKMSMN1; SMN2ALDH1A1NPSR1HTT
SCHEMBL4123885 0.82 ALDH1A1 (0.49) PKML3MBTL1TSHRSMN1; SMN2ALDH1A1
SCHEMBL4462435 0.81 KMT2A (0.61) L3MBTL1TSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4117812 0.81 TSHR (0.62) PKML3MBTL1TSHRALDH1A1NPSR1
SCHEMBL25077827 0.81 PKM (0.58) PKMTSHRSMN1; SMN2ALDH1A1NPSR1

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR PKM 2660/4885L3MBTL1 661/4885TSHR 1672/4885

“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.