SCHEMBL3042454

SCHEMBL3042454

COc1ccc(CCN2CCc3cc(O)c(OC)cc3C2)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHCR7 Q9UBM7 3/20 0.81
ABCB1 P08183 11/20 0.78
DRD4 P21917 1/20 0.62
DRD3 P35462 1/20 0.62
ABCG2 Q9UNQ0 4/20 0.60
KDM4E B2RXH2 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ABCC1 P33527 1/20 0.60
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
GFER P55789 1/20 0.57
KMT2A Q03164 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
SCHEMBL14740411 0.89 DHCR7 (0.79) DHCR7ABCB1DRD4DRD3ABCG2
SCHEMBL14739580 0.89 DHCR7 (1.00) DHCR7ABCB1DRD4DRD3ABCG2
SCHEMBL14330769 0.89 DHCR7 (0.79) DHCR7ABCB1ABCG2KDM4ETDP1
SCHEMBL17664977 0.89 DHCR7 (0.79) DHCR7ABCB1ABCG2KDM4ETDP1
SCHEMBL3504140 0.89 DHCR7 (0.79) DHCR7ABCB1DRD4DRD3ABCG2
SCHEMBL14740106 0.88 DHCR7 (1.00) DHCR7ABCB1ABCG2KDM4ETDP1
SCHEMBL3059315 0.88 ABCB1 (0.77) DHCR7ABCB1DRD4DRD3ABCG2
SCHEMBL14739911 0.87 DHCR7 (1.00) DHCR7ABCB1DRD4DRD3KDM4E
SCHEMBL10659881 0.85 DHCR7 (0.74) DHCR7ABCB1ABCG2KDM4ETDP1
SCHEMBL14739108 0.85 ABCB1 (0.74) DHCR7ABCB1ABCG2ABCC1

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 421/4885ABCB1 754/4885DRD4 1675/4885

“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.