SCHEMBL3059159

SCHEMBL3059159

COc1cc2c(cc1OCc1ccccc1)CCC(=O)N2Cc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.51
CHRNA7 P36544 2/20 0.48
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL3045981 0.94 HDAC6 (0.47) HDAC6CHRNA7HTR1AHTR2AHTR2C
SCHEMBL3182417 0.92 HDAC6 (0.56) HDAC6CHRNA7POLB
SCHEMBL3055179 0.88 HDAC6 (0.55) HDAC6CHRNA7POLB
SCHEMBL3051389 0.87 HDAC6 (0.51) HDAC6CHRNA7HTR1APOLB
SCHEMBL3055770 0.86 HDAC6 (0.53) HDAC6CHRNA7POLB
SCHEMBL3054092 0.86 HDAC6 (0.53) HDAC6CHRNA7
SCHEMBL3054425 0.79 CA9 (0.54) HDAC6HTR1APOLB
SCHEMBL3171208 0.77 POLB (0.56) HDAC6POLB
SCHEMBL3051083 0.76 HTR2A (0.54) CHRNA7HTR1AHTR2AHTR2CHTR7
SCHEMBL3058816 0.75 CA2 (0.43)

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 HDAC6 540/4885CHRNA7 4760/4885HTR1A 1761/4885

“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.