SCHEMBL3051019

SCHEMBL3051019

COc1cccc(COc2cc3c(cc2OC)C(=O)N(Cc2cccc(OC)c2)CC3)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.53
TNIK Q9UKE5 3/20 0.53
ROCK1 Q13464 3/20 0.53
CHRNA7 P36544 2/20 0.46
ACHE P22303 3/20 0.46
GPR84 Q9NQS5 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
PDE7A Q13946 1/20 0.44
PDE3A Q14432 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL3051832 0.89 CHRNA7 (0.53) TNIKCHRNA7GPR84MEN1KMT2A
SCHEMBL3064135 0.87 REV1 (0.56) CHRNA7GPR84MEN1KMT2A
SCHEMBL3057161 0.85 MAPK1 (0.55) CHRNA7GPR84MEN1KMT2A
SCHEMBL3052820 0.85 ROCK2 (0.55) ROCK2TNIKROCK1ACHEMEN1
SCHEMBL3051083 0.82 HTR2A (0.54) CHRNA7GPR84
SCHEMBL31134765 0.82 GRM5 (0.60) ACHEGPR84MEN1KMT2AABCB1
SCHEMBL3041941 0.81 CHRNA7 (0.53) CHRNA7GPR84MEN1KMT2A
SCHEMBL24617036 0.78 ROCK2 (0.61) ROCK2TNIKROCK1
SCHEMBL29779067 0.78 ROCK2 (0.61) ROCK2TNIKROCK1
SCHEMBL3049994 0.78 MEN1 (0.48) CHRNA7GPR84MEN1KMT2AABCB1

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
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-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 ROCK2 307/4885TNIK 1057/4885ROCK1 486/4885

“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.