SCHEMBL3051392

SCHEMBL3051392

COc1cc2c(cc1O)CCN(Cc1ccccc1)C2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.73
CA9 Q16790 1/20 0.73
KDM4E B2RXH2 3/20 0.71
TDP1 Q9NUW8 1/20 0.71
ABCB1 P08183 7/20 0.69
REV1 Q9UBZ9 1/20 0.67
ABCC1 P33527 3/20 0.66
MAPT P10636 2/20 0.66
ABCG2 Q9UNQ0 2/20 0.66
ALDH1A1 P00352 1/20 0.66
HTT P42858 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TAAR1 Q96RJ0 1/20 0.66
DHCR7 Q9UBM7 3/20 0.65
GAA P10253 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 1/20 0.63
DRD2 P14416 2/20 0.60
DRD3 P35462 2/20 0.60
DRD4 P21917 1/20 0.60

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
SCHEMBL3506177 1.00 CA2 (0.73) CA2CA9KDM4ETDP1ABCB1
SCHEMBL3174390 0.93 CA2 (0.63) CA2CA9KDM4ETDP1ABCB1
SCHEMBL3048278 0.89 KDM4E (0.67) CA2CA9KDM4ETDP1ABCB1
SCHEMBL3052881 0.89 KDM4E (0.70) CA2CA9KDM4ETDP1ABCB1
SCHEMBL3051837 0.89 DHCR7 (0.67) CA2CA9KDM4ETDP1ABCB1
SCHEMBL3059315 0.89 ABCB1 (0.77) CA2CA9KDM4ETDP1ABCB1
SCHEMBL3059233 0.88 KDM4E (0.69) CA2CA9KDM4ETDP1ABCB1
SCHEMBL3052036 0.88 DHCR7 (0.80) CA2CA9KDM4ETDP1ABCB1
SCHEMBL3041822 0.88 CA2 (0.70) CA2CA9KDM4ETDP1ABCB1
SCHEMBL3504140 0.88 DHCR7 (0.79) CA2CA9KDM4ETDP1ABCB1

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 7 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-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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 CA2 1077/4885CA9 1002/4885KDM4E 1083/4885

“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.