SCHEMBL3051822

SCHEMBL3051822

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
ITGB3 P05106 10/20 0.50
ITGA2B P08514 10/20 0.50
NAAA Q02083 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48
LMNA P02545 1/20 0.48
PTGER4 P35408 1/20 0.47
PTGER2 P43116 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL3054487 0.90 MAOA (0.58) MAOAMAOBITGB3ITGA2BNAAA
SCHEMBL3056355 0.86 CA2 (0.52) NAAALMNAPTGER4PTGER2TSHR
SCHEMBL3064345 0.82 TSHR (0.49) MAOAMAOBLMNAPTGER4PTGER2
SCHEMBL3051091 0.80 CA2 (0.54) NAAALMNA
SCHEMBL3051707 0.80 HRH3 (0.56) HRH3LMNA
SCHEMBL3050440 0.79 NAAA (0.52) NAAATSHR
SCHEMBL3054858 0.77 CA2 (0.53) PTGER4PTGER2TSHR
SCHEMBL3062372 0.77 CA2 (0.54) LMNA
SCHEMBL3048192 0.75 CA2 (0.65) LMNA
SCHEMBL27782264 0.75 GHSR (0.52)

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 MAOA 2205/4885MAOB 1395/4885ITGB3 4504/4885

“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.