SCHEMBL23969036

SCHEMBL23969036

N#CC(C#N)=C1c2cc(C#N)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C#N)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
RPS6KA3 P51812 1/20 0.33
JAK3 P52333 1/20 0.33
CES2 O00748 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
AR P10275 4/20 0.32
RXRA P19793 2/20 0.32
RXRG P48443 2/20 0.32
PGR P06401 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
XDH P47989 2/20 0.31
RXRB P28702 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL23968915 0.92 RXRA (0.39) CYP11B1CYP11B2ARRXRARXRG
SCHEMBL21917302 0.92 RXRA (0.34) CYP11B1CYP11B2RXRARXRGRXRB
SCHEMBL21917304 0.89 RXRA (0.31) RXRARXRG
SCHEMBL21917103 0.87 KIF11 (0.42) CYP11B1CYP11B2ARPGRALDH1A1
SCHEMBL21917429 0.87 KIF11 (0.42) CYP11B1CYP11B2ARPGRALDH1A1
SCHEMBL21917306 0.86 XDH (0.43) CES2CTSSCTSKARPGR
SCHEMBL23969104 0.86 XDH (0.43) CES2CTSSCTSKARPGR
SCHEMBL23969011 0.83 CYP11B1 (0.32) CYP11B1CYP11B2ARPGRALDH1A1
SCHEMBL21917121 0.83 CYP11B1 (0.32) CYP11B1CYP11B2ARPGRALDH1A1
SCHEMBL21917305 0.80 ALDH1A1 (0.33) ALDH1A1GAAMAPTPKM

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 699/4885RPS6KA3 4532/4885

“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.