SCHEMBL3046387

SCHEMBL3046387

COc1cc2c(cc1OCc1ccccc1)CC(C)(C)N=C2C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.48
KDM4E B2RXH2 6/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.48
NTSR1 P30989 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL14739313 0.78 MAOA (0.68) CHRNA7KDM4EMAPTALDH1A1GLA
SCHEMBL3059339 0.78 MAOA (0.68) CHRNA7KDM4EMAPTALDH1A1GLA
SCHEMBL20482814 0.77 CHRNA7 (0.49) CHRNA7
SCHEMBL3058959 0.72 ALDH1A1 (0.60) KDM4EMAPTTP53NTSR1ALDH1A1
SCHEMBL6628206 0.72 KDM4E (0.51) KDM4EMAPTTP53NTSR1ALDH1A1
SCHEMBL3970008 0.71 CHRNA7 (0.56) CHRNA7KDM4EGLAHTR1AHTR2A
SCHEMBL4814842 0.71 CHRNA7 (0.56) CHRNA7KDM4EGLAHTR1AHTR2A
SCHEMBL19450185 0.70 CTSV (0.56) CHRNA7MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL17381541 0.70 KDM4E (0.70) CHRNA7KDM4EMAPTALDH1A1GLA
SCHEMBL10374510 0.69 PDGFRB (0.54) CHRNA7MAPTHTTHPGDLMNA

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-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed
EP-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC CHRNA7 4760/4885KDM4E 1083/4885MAPT 4349/4885

“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.