SCHEMBL18847889

SCHEMBL18847889

CC1(C)c2ccccc2-c2c(-c3ccccc3N)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDK2 Q15119 3/20 0.45
HSD17B10 Q99714 1/20 0.39
ADORA2A P29274 2/20 0.37
PTPRC P08575 1/20 0.37
HTR2A P28223 2/20 0.37
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL13486726 0.90 PDK2 (0.54) ALDH1A1L3MBTL1PDK2HSD17B10ADORA2A
SCHEMBL29531659 0.90 PDK2 (0.54) ALDH1A1L3MBTL1PDK2HSD17B10ADORA2A
SCHEMBL29800563 0.90 PDK2 (0.54) ALDH1A1L3MBTL1PDK2HSD17B10ADORA2A
SCHEMBL26062463 0.83 S1PR1 (0.42) ALDH1A1L3MBTL1PDK2MAOAGRK6
SCHEMBL19315358 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1PDK2HSD17B10ADORA2A
SCHEMBL21074052 0.80 ALDH1A1 (0.54) ALDH1A1L3MBTL1PDK2HSD17B10ADORA2A
SCHEMBL19113478 0.80 PDK2 (0.56) PDK2HTR2AMLNRNR1I2CHRM2
SCHEMBL21037625 0.79 PDK2 (0.44) PDK2PTPRCHTR2AMLNRNR1I2
SCHEMBL13372146 0.79 PDK2 (0.45) ALDH1A1L3MBTL1PDK2HSD17B10HTR2A
SCHEMBL19869563 0.79 PDK2 (0.44) ALDH1A1PDK2HTR2AMLNRNR1I2

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
WO-2023162947-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-08-31 WO disclosed
US-10446765-B2 Heterocyclic compound and organic light emitting element using same HEESUNG MATERIAL LTD. (KR) 2019-10-15 US disclosed
US-20170133602-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME HEESUNG MATERIAL LTD. (KR) 2017-05-11 US disclosed
US-20170133602-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME HEESUNG MATERIAL LTD. (KR) 2017-05-11 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 (2 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-20170133602-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME CRY1, CRY2, PER2 ALDH1A1 828/4885L3MBTL1 995/4885PDK2 2182/4885
US-10446765-B2 Heterocyclic compound and organic light emitting element using same CRY1, CRY2, PER2 ALDH1A1 828/4885L3MBTL1 995/4885PDK2 2182/4885

“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.