SCHEMBL3059338

SCHEMBL3059338

COc1ccc(CN2CCc3cc(O)c(OC)cc3C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
POLB P06746 1/20 0.47
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 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
SCHEMBL3056820 0.89 WDR5 (0.46) MEN1KMT2ADHCR7MAOAACHE
SCHEMBL3171188 0.89 GRM5 (0.56) ABCB1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3052820 0.88 ROCK2 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3052615 0.85 CA9 (0.59) GAAPOLBALDH1A1CYP1A2MEN1
SCHEMBL3061473 0.83 ACHE (0.50) SMN1; SMN2MEN1KMT2AGRM5DRD2
SCHEMBL3058938 0.81 HDAC3 (0.47) ABCB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18617788 0.81 GAA (0.51) GAAPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL3064135 0.81 REV1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AGRM5
SCHEMBL3051300 0.81 ABCB1 (0.45) GAAPOLBABCB1ABCC1ABCG2
SCHEMBL18616793 0.80 GAA (0.52) GAAPOLBABCB1ABCC1ABCG2

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 GAA 2997/4885POLB 3243/4885ABCB1 754/4885

“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.