SCHEMBL17704056

SCHEMBL17704056

CC1(C)c2ccccc2Oc2ccc(-c3ccc4c(c3)c3cc(C#N)ccc3n4-c3ccnc4ccccc34)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 3/20 0.34
▸ AR P10275 1/20 0.34
▸ MAPKAPK2 P49137 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CLK4 Q9HAZ1 2/20 0.32
▸ MAP4K4 O95819 2/20 0.31
▸ CDK8 P49336 2/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ DRD3 P35462 2/20 0.31

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
SCHEMBL17704033 0.85 ABCC9 (0.33) ABCC9PTGER4MEN1KMT2A
SCHEMBL17703211 0.84 CCNC (0.32) ALDH1A1CYP1A2CYP3A4CLK4MAP4K4
SCHEMBL17704012 0.84 GRM5 (0.36) ABCC9ABL1
SCHEMBL17704034 0.83 ABCC9 (0.33) ABCC9PTGER4
SCHEMBL17704015 0.83 ABCC9 (0.34) ABCC9PTGER4
SCHEMBL17704032 0.82 ABCC9 (0.34) ABCC9
SCHEMBL17703994 0.82 PGR (0.35) ABCC9PTGER4
SCHEMBL17704057 0.82 PIK3CA (0.35) ABCC9CLK4PTGER4
SCHEMBL17704013 0.80 CYP11B2 (0.36) ABCC9ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL17703990 0.80 ABCC9 (0.33) ABCC9PTGER4

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-9722187-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-01 — — US disclosed
US-20160118599-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-28 — — 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-20160118599-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, AOX1, CYP1A1 ABCC9 2989/4885AR 1618/4885MAPKAPK2 4053/4885

“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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