SCHEMBL3050133

SCHEMBL3050133

COc1cccc(CN2Cc3cc(OC)c(O)cc3CC2C)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHCR7 Q9UBM7 1/20 0.55
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 1/20 0.42
DRD2 P14416 7/20 0.42
DRD3 P35462 3/20 0.42
DRD4 P21917 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
DRD1 P21728 4/20 0.42
SIGMAR1 Q99720 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
DRD5 P21918 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CMA1 P23946 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL3054594 0.89 CA2 (0.48) DHCR7CA2CA9DRD2DRD3
SCHEMBL3058753 0.87 DHCR7 (0.53) DHCR7CA2CA9ALDH1A1DRD2
SCHEMBL18098775 0.84 CA2 (0.70) DHCR7CA2CA9ALDH1A1TMEM97
SCHEMBL3061751 0.84 CHRNA7 (0.51) CA2CA9DRD2SIGMAR1
SCHEMBL3669267 0.83 CA2 (0.60) DHCR7CA2CA9ALDH1A1DRD2
SCHEMBL3052491 0.81 CA9 (0.60) CA2CA9DRD2DRD3DRD1
SCHEMBL3670460 0.81 CA2 (0.74) DHCR7CA2CA9DRD2DRD3
SCHEMBL16147484 0.78 FGFR1 (0.45) DHCR7CA2CA9
SCHEMBL17531440 0.78 FGFR1 (0.45) DHCR7CA2CA9
SCHEMBL5124444 0.78 CA2 (0.44) CA2CA9ACHEMEN1KMT2A

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
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
EP-2155192-B1 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LTD (GB) 2016-09-28 EP disclosed
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 421/4885CA2 1077/4885CA9 1002/4885

“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.