SCHEMBL23900202

SCHEMBL23900202

C=C/C=C\C=C(/C)c1cc(-c2cc(/C(=C/C=C\C)N=C)cc(-c3ccc(-c4ccccc4)cn3)c2)cc(-c2ccccc2)n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.31
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL20901161 0.88 HSD17B1 (0.34) MCL1ADORA3ADORA2BADORA1
SCHEMBL22102810 0.83 MCL1 (0.36) MCL1ADORA3ADORA2BADORA1
SCHEMBL25616099 0.79 HSD17B1 (0.34) MCL1ADORA3ADORA2BADORA1
SCHEMBL20936376 0.76 MCL1 (0.41) MCL1ADORA3ADORA2BADORA1
SCHEMBL25458684 0.75 MCL1 (0.38) MCL1ADORA3ADORA2BADORA1
SCHEMBL19368575 0.72 MCL1 (0.41) MCL1ADORA3ADORA2BADORA1
SCHEMBL20169567 0.72 KAT6A (0.35) —
SCHEMBL24762515 0.70 CNR2 (0.32) MCL1
SCHEMBL22650171 0.69 KDM4E (0.36) ADORA1
SCHEMBL19053749 0.69 MAPK8 (0.34) —

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-20210313524-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-07 — — 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-20210313524-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TRPC1, PPOX, LAGE3 MCL1 2274/4885ADORA3 3277/4885ADORA2B 4790/4885

“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.

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