SCHEMBL3057161

SCHEMBL3057161

COc1ccc(CN2CCc3cc(OCc4ccccc4)c(OC)cc3C2=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
HSD17B10 Q99714 1/20 0.55
CHRNA7 P36544 2/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GPR84 Q9NQS5 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
REV1 Q9UBZ9 1/20 0.49
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 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
SCHEMBL3051083 0.91 HTR2A (0.54) CHRNA7GPR84LMNAHTTSMN1; SMN2
SCHEMBL3064135 0.91 REV1 (0.56) CHRNA7GPR84MEN1KMT2ALMNA
SCHEMBL3051832 0.89 CHRNA7 (0.53) CHRNA7GPR84MEN1KMT2ALMNA
SCHEMBL3041941 0.87 CHRNA7 (0.53) CHRNA7GPR84MEN1KMT2ALMNA
SCHEMBL31134765 0.87 GRM5 (0.60) GPR84MEN1KMT2AKDM4EHTR2B
SCHEMBL3051019 0.85 ROCK2 (0.53) CHRNA7GPR84MEN1KMT2A
SCHEMBL3055557 0.85 HTR1A (0.50) MAPK1HSD17B10CHRNA7NPC1RAB9A
SCHEMBL16246343 0.85 MAPK1 (0.53) MAPK1HSD17B10CHRNA7NPC1RAB9A
SCHEMBL30604579 0.80 GRM5 (0.58) GPR84MEN1KMT2ALMNASMN1; SMN2
SCHEMBL28641201 0.80 GRM5 (0.58) GPR84MEN1KMT2ALMNASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed

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 MAPK1 3252/4885HSD17B10 1303/4885CHRNA7 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.