SCHEMBL22243194

SCHEMBL22243194

N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 9/20 0.38
CYP3A4 P08684 8/20 0.38
HSD17B10 Q99714 6/20 0.38
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 4/20 0.38
CLK4 Q9HAZ1 4/20 0.38
CYP2D6 P10635 4/20 0.38
TSHR P16473 4/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.38
NR3C1 P04150 1/20 0.37
PTGER4 P35408 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 3/20 0.35
ABCG2 Q9UNQ0 4/20 0.35

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
SCHEMBL27018420 0.98 TRPA1 (0.36) TRPA1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL21364691 0.97 TRPA1 (0.38) TRPA1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL22243195 0.97 NR3C1 (0.39) TRPA1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL20156118 0.96 TRPA1 (0.38) TRPA1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL22243005 0.95 TRPA1 (0.36) TRPA1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL27018255 0.95 TRPA1 (0.36) TRPA1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL22242950 0.95 TRPA1 (0.36) TRPA1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL21364808 0.95 TRPA1 (0.41) TRPA1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL21364494 0.94 CYP1A2 (0.38) TRPA1CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL22243199 0.94 CYP1A2 (0.38) CYP1A2CYP3A4HSD17B10ALDH1A1MEN1

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-11600783-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-03-07 US disclosed
US-20200235308-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-23 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-20200235308-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 TRPA1 295/4885CYP1A2 784/4885CYP3A4 1180/4885
US-11600783-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, ALDH1A2 TRPA1 62/4885CYP1A2 444/4885CYP3A4 910/4885

“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.