SCHEMBL39899

SCHEMBL39899

CC(C)(C)OC(=O)N1CCC2=CC(=O)CCC2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 1/20 0.44
PDE4B Q07343 1/20 0.44
SETD7 Q8WTS6 1/20 0.42
NR1H2 P55055 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
ESR2 Q92731 1/20 0.40
EPHX1 P07099 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL14261436 0.79 SETD7 (0.44) MAPTKDM4ETHRBPDE4BSETD7
SCHEMBL1159357 0.75 KDM4E (0.43) MAPTKDM4ETHRBPDE4BSETD7
SCHEMBL18511267 0.75 KDM4E (0.43) MAPTKDM4ETHRBPDE4BSETD7
SCHEMBL31566807 0.74 THRB (0.45) MAPTKDM4ETHRBPDE4BNPC1
SCHEMBL25047547 0.74 TNK2 (0.48) MAPTKDM4ETHRBPDE4BHPGD
SCHEMBL2115554 0.74 MAPT (0.41) MAPTKDM4ETHRBPDE4BNPC1
SCHEMBL19752945 0.73 KDM4E (0.46) MAPTKDM4ETHRBSETD7NR1H2
SCHEMBL31651865 0.73 PDK4 (0.48) MAPTKDM4ETHRBNR1H2GPR119
SCHEMBL725154 0.73 NR1H2 (0.46) MAPTKDM4ETHRBNR1H2HPGD
SCHEMBL23384723 0.73 TNK2 (0.48) MAPTKDM4ETHRBPDE4BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419408-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K. (JP) 2012-02-22 EP disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
WO-2010119984-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-21 WO disclosed
WO-2010119984-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-21 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-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE IDO1, TPH1, AHR MAPT 3630/4885KDM4E 2947/4885THRB 707/4885

“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.