SCHEMBL3056355

SCHEMBL3056355

COc1cc(OC)cc(C(=O)N2CCc3cc(OCc4ccccc4)c(OC)cc3C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
CHRNA7 P36544 2/20 0.50
GPR84 Q9NQS5 1/20 0.49
LMNA P02545 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER2 P43116 1/20 0.46
TSHR P16473 1/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
NAAA Q02083 1/20 0.45
REV1 Q9UBZ9 1/20 0.44
GPR183 P32249 1/20 0.43
GRIN2C Q14957 1/20 0.43

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
SCHEMBL3050440 0.93 NAAA (0.52) CA2CA9CHRNA7GPR84TSHR
SCHEMBL3051091 0.92 CA2 (0.54) CA2CA9CHRNA7GPR84LMNA
SCHEMBL3062372 0.90 CA2 (0.54) CA2CA9CHRNA7GPR84LMNA
SCHEMBL3048192 0.89 CA2 (0.65) CA2CA9CHRNA7GPR84LMNA
SCHEMBL3056011 0.87 CA2 (0.51) CA2CA9CHRNA7GPR84HTR2A
SCHEMBL3048205 0.86 ALDH1A1 (0.52) CA2CA9CHRNA7GPR84HTR2A
SCHEMBL3051822 0.86 MAOA (0.52) LMNAPTGER4PTGER2TSHRNAAA
SCHEMBL3051405 0.86 CA2 (0.49) CA2CA9CHRNA7GPR84NAAA
SCHEMBL3056795 0.81 KMT2A (0.62) CHRNA7LMNAREV1GPR183
SCHEMBL3051832 0.81 CHRNA7 (0.53) CHRNA7GPR84LMNAHTR2AHTR2C

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 CA2 1077/4885CA9 1002/4885CHRNA7 4760/4885

“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.