SCHEMBL17072590

SCHEMBL17072590

C=C1/C=C\C=C/Cc2ccc(Nc3ccc(C)cc3)cc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ APP P05067 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.31
▸ SNCA P37840 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ EGFR P00533 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
SCHEMBL17807717 0.86 MEN1 (0.33) OPRD1MEN1KMT2AL3MBTL1
SCHEMBL17072579 0.82 PDK2 (0.36) —
SCHEMBL16158459 0.75 — —
SCHEMBL18010260 0.71 — —
SCHEMBL13750191 0.70 — —
SCHEMBL17883213 0.70 PDK2 (0.42) MEN1KMT2AL3MBTL1APP
SCHEMBL13816235 0.65 — —
SCHEMBL26306924 0.64 CYP26A1 (0.47) OPRD1HPGDMEN1GAAG6PD
SCHEMBL20123114 0.64 OPRM1 (0.33) OPRD1HPGDMEN1KMT2AL3MBTL1
SCHEMBL3373557 0.63 GAA (0.67) HPGDMEN1GAAG6PDKMT2A

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-20150255720-A1 Compounds for Electronic Devices MERCK PATENT GMBH (DE) 2015-09-10 — — 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-20150255720-A1 Compounds for Electronic Devices DDT, EED, VDAC2 OPRD1 1553/4885HPGD 1070/4885MEN1 1474/4885

“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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