SCHEMBL3056478

SCHEMBL3056478

COc1cc2c(cc1O)CCCC(=O)N2Cc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.52
CA2 P00918 1/20 0.52
POLB P06746 1/20 0.43
HDAC6 Q9UBN7 3/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRB3 P13945 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGS1 P23219 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 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
SCHEMBL3054425 0.93 CA9 (0.54) CA9CA2POLBHDAC6ADRB2
SCHEMBL3041836 0.86 CYP1A2 (0.50) POLBHDAC6SMN1; SMN2
SCHEMBL3059033 0.85 CA2 (0.43) CA9CA2POLBKDM4E
SCHEMBL3058816 0.80 CA2 (0.43) CA9CA2KDM4E
SCHEMBL3171208 0.79 POLB (0.56) POLBHDAC6
SCHEMBL3049372 0.78 HDAC6 (0.52) HDAC6
SCHEMBL3061603 0.75 CMA1 (0.52) POLBHDAC6KDM4ELMNASMN1; SMN2
SCHEMBL3054937 0.74 CA9 (0.54) CA9CA2POLBKDM4EHTR1A
SCHEMBL3059159 0.73 HDAC6 (0.51) POLBHDAC6HTR1A
SCHEMBL3055359 0.72 CYP1A2 (0.47) CA9CA2POLBSMN1; SMN2

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 CA9 1002/4885CA2 1077/4885POLB 3243/4885

“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.