SCHEMBL3052036

SCHEMBL3052036

COc1cccc(CN2CCc3cc(O)c(OC)cc3C2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHCR7 Q9UBM7 3/20 0.80
KDM4E B2RXH2 3/20 0.69
TDP1 Q9NUW8 1/20 0.69
CA2 P00918 1/20 0.67
CA9 Q16790 1/20 0.67
DRD4 P21917 4/20 0.62
DRD3 P35462 4/20 0.62
TMEM97 Q5BJF2 3/20 0.62
DRD2 P14416 2/20 0.62
MAPT P10636 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HTT P42858 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
ABCB1 P08183 4/20 0.60
GAA P10253 1/20 0.59
RAB9A P51151 1/20 0.59
ABCC1 P33527 3/20 0.59
ABCG2 Q9UNQ0 2/20 0.59
CHRM2 P08172 1/20 0.57

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
SCHEMBL3054533 0.93 DHCR7 (0.70) DHCR7KDM4ETDP1CA2CA9
SCHEMBL3064349 0.91 DHCR7 (0.67) DHCR7KDM4ETDP1CA2CA9
SCHEMBL3051837 0.91 DHCR7 (0.67) DHCR7KDM4ETDP1CA2CA9
SCHEMBL3051578 0.90 DHCR7 (0.66) DHCR7KDM4ETDP1CA2CA9
SCHEMBL3052881 0.89 KDM4E (0.70) DHCR7KDM4ETDP1CA2CA9
SCHEMBL3056633 0.89 DHCR7 (0.65) DHCR7KDM4ETDP1CA2CA9
SCHEMBL3041926 0.89 DHCR7 (0.65) DHCR7KDM4ETDP1CA2CA9
SCHEMBL14739911 0.89 DHCR7 (1.00) DHCR7KDM4ETDP1CA2CA9
SCHEMBL3059233 0.88 KDM4E (0.69) DHCR7KDM4ETDP1CA2CA9
SCHEMBL3051392 0.88 CA2 (0.73) DHCR7KDM4ETDP1CA2CA9

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
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
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 DHCR7 421/4885KDM4E 1083/4885TDP1 4235/4885

“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.