SCHEMBL3048192

SCHEMBL3048192

COc1ccc(C(=O)N2CCc3cc(OCc4ccccc4)c(OC)cc3C2=O)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CHRNA7 P36544 2/20 0.51
ABCB1 P08183 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR84 Q9NQS5 1/20 0.50
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48

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
SCHEMBL3062372 0.91 CA2 (0.54) CA2CA9CHRNA7ABCB1NPC1
SCHEMBL3051091 0.91 CA2 (0.54) CA2CA9CHRNA7RAB9ASMN1; SMN2
SCHEMBL3050440 0.90 NAAA (0.52) CA2CA9CHRNA7SMN1; SMN2GPR84
SCHEMBL3056355 0.89 CA2 (0.52) CA2CA9CHRNA7GPR84HTR2A
SCHEMBL3056011 0.88 CA2 (0.51) CA2CA9CHRNA7GPR84HTR2A
SCHEMBL3048205 0.87 ALDH1A1 (0.52) CA2CA9CHRNA7NPC1GPR84
SCHEMBL3051405 0.86 CA2 (0.49) CA2CA9CHRNA7GPR84
SCHEMBL3052647 0.81 CA2 (0.75) CA2CA9PDE4APDE4BPDE4C
SCHEMBL11082062 0.81 SMPD1 (0.57) SMPD1HDAC1HDAC8HDAC6ABCB1
SCHEMBL31432821 0.80 NPC1 (0.56) CA2CA9CHRNA7NPC1RAB9A

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 1002/4885SMPD1 2661/4885

“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.