SCHEMBL21736158

SCHEMBL21736158

CC1(C)c2cc(-c3cccc(C#N)c3)ccc2-c2c(-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3ccccc3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.39
CYP3A4 P08684 5/20 0.39
CYP2D6 P10635 4/20 0.39
LMNA P02545 4/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP2C19 P33261 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2C9 P11712 1/20 0.38
PGR P06401 5/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A3 P47895 1/20 0.35
PDK2 Q15119 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL21736066 0.86 TSHR (0.34) CYP1A2CYP3A4CYP2D6LMNATP53
SCHEMBL21735906 0.84 PGR (0.38) CYP1A2CYP3A4CYP2D6LMNATSHR
SCHEMBL21736045 0.84 ABCG2 (0.30) ABCG2
SCHEMBL20670189 0.84 KDM4E (0.32) KDM4E
SCHEMBL21736316 0.84 PTGER4 (0.33) KDM4E
SCHEMBL21736247 0.84 PTGER4 (0.33) KDM4E
SCHEMBL20669853 0.83
SCHEMBL20669830 0.82 CYP1A2 (0.32) CYP1A2CYP3A4CYP2D6TP53TSHR
SCHEMBL21735973 0.82
SCHEMBL24203117 0.82

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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 (2 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 CYP1A2 20/4885CYP3A4 40/4885CYP2D6 115/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 CYP1A2 20/4885CYP3A4 40/4885CYP2D6 115/4885

“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.