SCHEMBL21286483

SCHEMBL21286483

C=C(C)c1cccc(C(C)=N)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.34
HSD17B14 Q9BPX1 1/20 0.32
LMNA P02545 2/20 0.32
PAX8 Q06710 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL6673583 0.89 KDM4E (0.46) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL13793158 0.89 KDM4E (0.46) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL21615647 0.80 KDM4E (0.44) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL28244305 0.78 KDM4E (0.48) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL14346588 0.78 KDM4E (0.48) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL13274037 0.76 P2RX7 (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL8281251 0.76 P2RX7 (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29741163 0.75 KDM4E (0.45) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL23226820 0.74 NOS2 (0.46) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL21264073 0.74 GRM5 (0.44) KDM4EALOX15TSHRACMSDTDP1

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-20190256650-A1 CATALYTIC CARBONYLATION CATALYSTS AND METHODS NOVOMER, INC. (US) 2019-08-22 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-20190256650-A1 CATALYTIC CARBONYLATION CATALYSTS AND METHODS CBR3, CBR1, EPHX2 KDM4E 448/4885ALOX15 542/4885TSHR 4642/4885

“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.