SCHEMBL17531032

SCHEMBL17531032

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(C#N)c3c4c(c(C#N)cc(c24)C1=O)C(=O)N(c1c(C(C)C)cccc1C(C)C)C3=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.53
▸ ANPEP P15144 6/20 0.53
▸ NR1H2 P55055 1/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ USP8 P40818 1/20 0.34
▸ USP7 Q93009 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ BRD1 O95696 1/20 0.31
▸ TAF1 P21675 1/20 0.31
▸ BRPF1 P55201 1/20 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
SCHEMBL17531036 0.96 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3USP8
SCHEMBL24383852 0.92 ANPEP (0.46) DPP4ANPEPNR1H2NR1H3
SCHEMBL17531023 0.90 ANPEP (0.52) DPP4ANPEPNR1H2NR1H3USP8
SCHEMBL17531018 0.84 ANPEP (0.50) DPP4ANPEPNR1H2NR1H3USP8
SCHEMBL17531015 0.83 ANPEP (0.49) DPP4ANPEPNR1H2NR1H3USP8
SCHEMBL11017362 0.83 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3FAAH
SCHEMBL17531029 0.81 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3FAAH
SCHEMBL18105782 0.81 DPP4 (0.42) DPP4ANPEPNR1H2NR1H3USP8
SCHEMBL17531251 0.80 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3
SCHEMBL127167 0.80 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3BRD1

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-10454037-B2 Organic semiconductor composition comprising a liquid medium BASF SE (DE) 2019-10-22 — — US disclosed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 — — US disclosed
US-20170250347-A1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING A LIQUID MEDIUM BASF SE (DE) 2017-08-31 — — US disclosed
US-20170237005-A1 PROCESS FOR PREPARING A CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL BASF SE (DE) 2017-08-17 — — US disclosed
WO-2016027217-A1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING LIQUID MEDIUM BASF SE (DE) 2016-02-25 — — WO disclosed
WO-2016027218-A1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL BASF SE (DE) 2016-02-25 — — 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 (3 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-20170250347-A1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING A LIQUID MEDIUM CRY1, NEFM, OR10J3 DPP4 4308/4885ANPEP 4310/4885NR1H2 3118/4885
US-10454037-B2 Organic semiconductor composition comprising a liquid medium CRY1, NEFM, OR10J3 DPP4 4308/4885ANPEP 4310/4885NR1H2 3118/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR DPP4 2481/4885ANPEP 3850/4885NR1H2 2221/4885

“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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