SCHEMBL17280983

SCHEMBL17280983

Brc1cncc(OC2CCCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
DHFR P00374 1/20 0.40
KDM4C Q9H3R0 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD11B1 P28845 1/20 0.34
TNK2 Q07912 1/20 0.33

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
SCHEMBL28926462 0.82 KDM4C (0.39) DHFRKDM4CNPC1RAB9AHSD11B1
SCHEMBL13577642 0.82 DHFR (0.38) DHFRKDM4CNPC1RAB9AHSD11B1
SCHEMBL15884393 0.81 KDM4C (0.49) CHRNB2CHRNA4DHFRKDM4CNPC1
SCHEMBL30542315 0.81 KDM4C (0.49) CHRNB2CHRNA4DHFRKDM4CNPC1
SCHEMBL25223911 0.78 DHFR (0.45) CHRNB2CHRNA4DHFRKDM4CNPC1
SCHEMBL31052321 0.78 DHFR (0.47) CHRNB2CHRNA4DHFRKDM4CNPC1
SCHEMBL31052157 0.78 DHFR (0.45) CHRNB2CHRNA4DHFRKDM4CNPC1
SCHEMBL25260740 0.78 DHFR (0.47) CHRNB2CHRNA4DHFRKDM4CNPC1
SCHEMBL16518357 0.77 KDM4C (0.34) DHFRKDM4CNPC1RAB9AHSD11B1
SCHEMBL5849238 0.77 CHRNB2 (0.46) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-26 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-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES ESR1, EPX, SDHB CHRNB2 466/4885CHRNA4 671/4885DHFR 3803/4885

“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.