SCHEMBL18874516

SCHEMBL18874516

C/C=C(\C)c1cc(C(C)C)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
TYR P14679 2/20 0.37
CBLB Q13191 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX12 P18054 2/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
CHRNA7 P36544 1/20 0.31
KDM4E B2RXH2 2/20 0.31
RNASEH1 O60930 1/20 0.31
MDM4 O15151 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL26060447 0.84 TRPA1 (0.34) TRPA1PTGS1CACNA1CTYRCBLB
SCHEMBL6169475 0.79 ALDH1A1 (0.47) TRPA1PTGS1CACNA1CTYRCBLB
SCHEMBL23557928 0.78 TYR (0.30) TRPA1PTGS1CACNA1CTYR
SCHEMBL19866406 0.78 KDM4C (0.33) TRPA1PTGS1CACNA1CTYRCBLB
SCHEMBL101547 0.76 KDM4E (0.55) CBLBALDH1A1NPC1RAB9AKDM4E
SCHEMBL6638833 0.76 CBLB (0.36) TRPA1PTGS1CACNA1CTYRCBLB
SCHEMBL19278370 0.75 UHRF1 (0.46) ALDH1A1NPC1PKMRAB9AKDM4E
SCHEMBL22925420 0.75 UHRF1 (0.46) ALDH1A1NPC1PKMRAB9AKDM4E
SCHEMBL18542887 0.74 KDM4C (0.40) TYRCBLBALDH1A1ALOX12HTT
SCHEMBL18719687 0.74 CHRNA7 (0.37) TRPA1PTGS1CACNA1CCBLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263051-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-08-17 US disclosed
US-20230172050-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG DISPLAY CO., LTD. (KR) 2023-06-01 US disclosed
US-11653562-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-05-16 US disclosed
US-20220181558-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2022-06-09 US disclosed
US-20210363133-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2021-11-25 US disclosed
US-20210320252-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-10-14 US disclosed
US-20210062081-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-03-04 US disclosed
US-20210043848-A1 COMPOSITION MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-02-11 US disclosed
US-9793497-B2 Green luminescent materials E I DU PONT DE NEMOURS AND COMPANY (US) 2017-10-17 US disclosed
US-9768394-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-09-19 US disclosed
US-20170141326-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2017-05-18 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 (6 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-20210363133-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TELO2, SOD1, LIMS1 TRPA1 124/4885PTGS1 3453/4885CACNA1C 759/4885
US-11653562-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same OPA1, ODC1, TMEM109 TRPA1 55/4885PTGS1 2747/4885CACNA1C 131/4885
US-20210320252-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OPA1, ODC1, TMEM109 TRPA1 55/4885PTGS1 2747/4885CACNA1C 131/4885
US-20210043848-A1 COMPOSITION MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME LIMS1, TERT, TELO2 TRPA1 128/4885PTGS1 4710/4885CACNA1C 697/4885
US-20220181558-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TELO2, LIMS1, TERT TRPA1 114/4885PTGS1 4002/4885CACNA1C 2296/4885
US-20170141326-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, VDAC1, ICOSLG TRPA1 118/4885PTGS1 4338/4885CACNA1C 287/4885

“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.