SCHEMBL5239394

SCHEMBL5239394

CCOC(=O)N1CCC(O)(Cc2ccccc2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
KDM4E B2RXH2 3/20 0.63
POLB P06746 1/20 0.63
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
BRD4 O60885 1/20 0.47
KMT2A Q03164 3/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
APP P05067 1/20 0.45
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL13183440 0.93 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBALOX15TDP1
SCHEMBL8116325 0.85 GPR119 (0.51) ALDH1A1KDM4EPOLBALOX15KMT2A
SCHEMBL13183441 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBALOX15TDP1
SCHEMBL4826185 0.85 ALDH1A1 (0.63) ALDH1A1KDM4EPOLBALOX15TDP1
SCHEMBL17848532 0.82 RIPK1 (0.46) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL376254 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBTDP1KMT2A
SCHEMBL11255386 0.79 RIPK1 (0.61) ALDH1A1KDM4EALOX15KMT2AMEN1
SCHEMBL5234910 0.79 OPRD1 (0.50) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL5238677 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBNOS3NOS1
SCHEMBL13183431 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBTDP1KMT2A

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
WO-2010110400-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-09-30 WO disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
EP-1761539-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER Takeda Pharmaceutical Company Limited (JP) 2007-03-14 EP disclosed
WO-2005118587-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 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-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 ALDH1A1 1181/4885KDM4E 1419/4885POLB 2430/4885

“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.