SCHEMBL23968939

SCHEMBL23968939

N#CC(C#N)=C1c2cc(C#N)c(-c3ccc(-c4ccc(F)cc4)cc3)cc2-c2cc(-c3ccc(-c4ccc(F)cc4)cc3)c(C#N)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CNR1 P21554 6/20 0.37
CNR2 P34972 3/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35
GAA P10253 1/20 0.35
PTGS1 P23219 1/20 0.34
CSNK2A1 P68400 1/20 0.34
MAOB P27338 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL23968949 0.98 CNR1 (0.38) CYP11B1CYP11B2CNR1CNR2ALDH1A1
SCHEMBL21917430 0.98 CNR1 (0.38) CYP11B1CYP11B2CNR1CNR2ALDH1A1
SCHEMBL23968914 0.87 ESR1 (0.36) CYP11B1CYP11B2ALDH1A1MAPTPKM
SCHEMBL21917279 0.86 MMP3 (0.42) CYP11B1CYP11B2ALDH1A1MAPTPKM
SCHEMBL23969054 0.85 MAPT (0.33) CNR1CNR2ALDH1A1MAPTPKM
SCHEMBL21917132 0.84 MMP3 (0.39) CYP11B1CYP11B2ALDH1A1MAPTPKM
SCHEMBL23968847 0.84 MMP3 (0.39) CYP11B1CYP11B2ALDH1A1MAPTPKM
SCHEMBL21917275 0.84 MAPT (0.34) CYP11B1CYP11B2ALDH1A1MAPTPKM
SCHEMBL23968846 0.84 CYP11B2 (0.43) CYP11B1CYP11B2
SCHEMBL21917270 0.84 XDH (0.40) CYP11B1CYP11B2CNR1CNR2ALDH1A1

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-11165025-B2 Compound and organic electronic element comprising same LG CHEM, LTD. 2021-11-02 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-11165025-B2 Compound and organic electronic element comprising same OR10J3, ESR1, ETV6 CYP11B1 1281/4885CYP11B2 699/4885CNR1 4270/4885

“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.