SCHEMBL3051707

SCHEMBL3051707

COc1cc(OC)cc(C(=O)N2CCc3cc(OCc4ccccc4)ccc3C2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
FFAR1 O14842 1/20 0.52
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
CARM1 Q86X55 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TP53 P04637 2/20 0.49
USP2 O75604 1/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL3055962 0.89 HRH3 (0.60) HRH3CA1CA2CA7CA9
SCHEMBL3052486 0.87 MAPK1 (0.64) HRH3CA1CA2CA7CA9
SCHEMBL3056795 0.87 KMT2A (0.62) LMNAKMT2AMAPTALDH1A1NPC1
SCHEMBL8239825 0.82 CA1 (0.72) CA1CA2CA7CA9CA14
SCHEMBL3056632 0.81 CA1 (0.58) CA1CA2CA7CA9CA14
SCHEMBL3056740 0.80 KMT2A (0.68) CA1CA2CA7CA9CA14
SCHEMBL3051822 0.80 MAOA (0.52) HRH3LMNA
SCHEMBL24914042 0.79 CA1 (0.52) HRH3CA1CA2CA7CA9
SCHEMBL30789170 0.79 CA1 (0.52) HRH3CA1CA2CA7CA9
SCHEMBL3055130 0.79 PDE4B (0.66) LMNAKMT2AMAPTALDH1A1NPC1

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-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
CN-101677993-A Compound (I) STERIX LTD 2010-03-24 CN 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 HRH3 2790/4885CA1 1200/4885CA2 1077/4885

“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.