SCHEMBL21458051

SCHEMBL21458051

O=C[C@H]1CC[C@@H]1COC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA5 P30532 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
PPM1B O75688 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.44
CES2 O00748 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL22230562 1.00 CHRNB2 (0.49) CHRNB2CHRNA5CHRNA7CHRNA4PPM1B
SCHEMBL19284970 1.00 CHRNB2 (0.49) CHRNB2CHRNA5CHRNA7CHRNA4PPM1B
SCHEMBL23688029 1.00 CHRNB2 (0.49) CHRNB2CHRNA5CHRNA7CHRNA4PPM1B
SCHEMBL13479230 0.91 CHRNB2 (0.50) CHRNB2CHRNA5CHRNA7CHRNA4PPM1B
SCHEMBL21458096 0.85 PPM1B (0.45) CHRNB2CHRNA5CHRNA7CHRNA4PPM1B
SCHEMBL21458055 0.81 CHRNB2 (0.51) CHRNB2CHRNA5CHRNA7CHRNA4PPM1B
SCHEMBL21458031 0.81 CHRNB2 (0.51) CHRNB2CHRNA5CHRNA7CHRNA4PPM1B
SCHEMBL21458033 0.81 CHRNB2 (0.51) CHRNB2CHRNA5CHRNA7CHRNA4PPM1B
SCHEMBL13286850 0.80 PPM1B (0.56) CHRNB2CHRNA5CHRNA7CHRNA4PPM1B
SCHEMBL9368031 0.79 CHRNB2 (0.50) CHRNB2CHRNA5CHRNA7CHRNA4PPM1B

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-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS, LTD. (CH) 2019-10-17 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-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES TMBIM6, BTN3A1, BET1 CHRNB2 4778/4885CHRNA5 4720/4885CHRNA7 4715/4885

“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.