SCHEMBL19490683

SCHEMBL19490683

BOc1ccccc1/C=N/c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.48
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 5/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL19490943 0.86 SIRT2 (0.46) MAPTSIRT2MEN1KMT2AALDH1A1
SCHEMBL23265029 0.85 MAPT (0.57) PTGS2LMNAMAPTSIRT2MEN1
SCHEMBL19490690 0.80 SIRT2 (0.41) PTGS2LMNAMAPTSIRT2MEN1
SCHEMBL19490686 0.78 MAPT (0.56) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL19490647 0.78 DHODH (0.56) LMNAMAPTMAPK1MEN1KMT2A
SCHEMBL13832484 0.77 NFE2L2 (0.53) PTGS2LMNAMAPTSIRT2MEN1
SCHEMBL19490831 0.77 CA12 (0.52) LMNAMAPTSIRT2MAPK1MEN1
SCHEMBL11510186 0.77 PTGS2 (0.54) PTGS2LMNAMAPTSIRT2MEN1
SCHEMBL19490684 0.77 MAPT (0.54) LMNAMAPTKMT2AALDH1A1NPC1
SCHEMBL7883092 0.74 PTGS2 (0.51) PTGS2LMNAMAPTSIRT2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364316-B2 Conjugated polymer containing ethynyl crosslinking group, mixture, formulation, organic electronic device containing the same and application therof GUANGZHOU CHINARAY OPTOELECTRONICS MATERIALS LTD. (CN) 2019-07-30 — — US disclosed
US-20180022865-A1 CONJUGATED POLYMER CONTAINING ETHYNYL CROSSLINKING GROUP, MIXTURE COMPOSITION, ORGANIC ELECTRONIC DEVICE CONTINAING THE SAME AND APPLICATION THEROF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2018-01-25 — — US disclosed
US-20170365789-A1 COMPOUND, MIXTURE COMPRISING THE SAME, COMPOSITION AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2017-12-21 — — US disclosed
US-9796684-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-10-24 — — 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-20170365789-A1 COMPOUND, MIXTURE COMPRISING THE SAME, COMPOSITION AND ORGANIC ELECTRONIC DEVICE DDT, DRD3, ICMT PTGS2 4117/4885LMNA 3321/4885MAPT 846/4885

“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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