SCHEMBL3050440

SCHEMBL3050440

COc1cccc(C(=O)N2CCc3cc(OCc4ccccc4)c(OC)cc3C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
GRIN2C Q14957 2/20 0.49
CHRNA7 P36544 2/20 0.48
GPR84 Q9NQS5 1/20 0.48
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PDE4B Q07343 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 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
SCHEMBL3056355 0.93 CA2 (0.52) NAAACA2CA9GRIN2CCHRNA7
SCHEMBL3051091 0.91 CA2 (0.54) NAAACA2CA9GRIN2CCHRNA7
SCHEMBL3048192 0.90 CA2 (0.65) CA2CA9CHRNA7GPR84SMN1; SMN2
SCHEMBL3051405 0.89 CA2 (0.49) NAAACA2CA9GRIN2CCHRNA7
SCHEMBL3062372 0.87 CA2 (0.54) CA2CA9CHRNA7GPR84SMN1; SMN2
SCHEMBL3056011 0.85 CA2 (0.51) NAAACA2CA9GRIN2CCHRNA7
SCHEMBL3048205 0.85 ALDH1A1 (0.52) CA2CA9CHRNA7GPR84ALDH1A1
SCHEMBL3051291 0.82 CA2 (0.57) CA2CA9GRIN2CTSHRSMN1; SMN2
SCHEMBL3055130 0.82 PDE4B (0.66) CHRNA7MAPTALDH1A1PDE4BKMT2A
SCHEMBL3051822 0.79 MAOA (0.52) NAAATSHR

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 NAAA 3432/4885CA2 1077/4885CA9 1002/4885

“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.