SCHEMBL21658236

SCHEMBL21658236

CC1(C)c2cc(C#N)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(C#N)ccc4-5)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.43
▸ PDK2 Q15119 3/20 0.42
▸ ABCG2 Q9UNQ0 10/20 0.41
▸ ABCB1 P08183 6/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALK Q9UM73 1/20 0.38
▸ ABCC1 P33527 3/20 0.38
▸ ALDH1A3 P47895 1/20 0.38
▸ MYC P01106 1/20 0.38

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
SCHEMBL19939365 1.00 PGR (0.43) PGRPDK2ABCG2ABCB1MEN1
SCHEMBL22414108 0.99 PGR (0.44) PGRPDK2ABCG2ABCB1MEN1
SCHEMBL24264418 0.98 PDK2 (0.44) PGRPDK2ABCG2ABCB1MEN1
SCHEMBL23937624 0.95 PGR (0.45) PGRPDK2ABCG2ABCB1MEN1
SCHEMBL22106391 0.95 PGR (0.45) PGRPDK2ABCG2ABCB1MEN1
SCHEMBL23937401 0.95 PGR (0.48) PGRPDK2ABCG2ABCB1MEN1
SCHEMBL23937528 0.95 PGR (0.47) PGRPDK2ABCG2ABCB1MEN1
SCHEMBL21658383 0.95 PGR (0.47) PGRPDK2ABCG2ABCB1MEN1
SCHEMBL22106323 0.95 PGR (0.47) PGRPDK2ABCG2ABCB1MEN1
SCHEMBL23937499 0.95 PGR (0.47) PGRPDK2ABCG2ABCB1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210305516-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2021-09-30 — — US disclosed
US-20210210694-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-07-08 — — US disclosed
US-10950801-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2021-03-16 — — US disclosed
EP-3754734-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2020-12-23 — — EP disclosed
US-20200287142-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM LTD. (KR) 2020-09-10 — — US disclosed
WO-2020022771-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2020-01-30 — — WO 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-20210305516-A1 ORGANIC LIGHT-EMITTING DEVICE AOC2, RUVBL2, RUVBL1 PGR 645/4885PDK2 3314/4885ABCG2 3953/4885

“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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