SCHEMBL3062097

SCHEMBL3062097

CCOC1CN(Cc2cc(OC)c(OC)c(OC)c2)Cc2cc(OC)c(S(N)(=O)=O)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.51
CA2 P00918 5/20 0.51
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3059124 0.88 ABCB1 (0.44) CA9CA2KMT2ACA12CA1
SCHEMBL3041403 0.85 DHCR7 (0.42) CA9CA2KDM4EMEN1KMT2A
SCHEMBL3046501 0.84 KMT2A (0.41) KDM4EMEN1KMT2AALDH1A1CYP2C9
SCHEMBL3062677 0.79 ABCB1 (0.46) CA9CA2KMT2ACA12CA1
SCHEMBL3064371 0.78 CA9 (0.76) CA9CA2KDM4EMEN1KMT2A
SCHEMBL3052193 0.77 SIGMAR1 (0.42) CA9CA2KDM4EMEN1KMT2A
SCHEMBL3046704 0.68 CA9 (0.74) CA9CA2KDM4EMEN1KMT2A
SCHEMBL3046471 0.68 CA2 (0.60) CA9CA2KDM4EMEN1KMT2A
SCHEMBL18098780 0.68 CA9 (1.00) CA9CA2KDM4EMEN1KMT2A
SCHEMBL3056516 0.67 KDM4E (0.66) CA9CA2KDM4EKMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1077/4885KDM4E 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.