SCHEMBL19577801

SCHEMBL19577801

Cc1cccc(-c2cccc(-c3cccc(C)c3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.65
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.50
DHODH Q02127 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ENPP3 O14638 1/20 0.48
IDO1 P14902 1/20 0.48
METAP2 P50579 1/20 0.48
PTPN5 P54829 1/20 0.47
NISCH Q9Y2I1 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAP4K4 O95819 1/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL28043529 0.97 ACHE (0.61) ACHERAB9AALDH1A1DHODHMAPK1
SCHEMBL30443064 0.97 ACHE (0.61) ACHERAB9AALDH1A1DHODHMAPK1
SCHEMBL301247 0.97 ACHE (0.69) ACHERAB9AALDH1A1DHODHMAPK1
SCHEMBL29373699 0.97 ACHE (0.69) ACHERAB9AALDH1A1DHODHMAPK1
SCHEMBL31471473 0.97 ACHE (0.69) ACHERAB9AALDH1A1DHODHMAPK1
SCHEMBL18797759 0.94 ACHE (0.65) ACHERAB9AALDH1A1MAPK1NPC1
SCHEMBL30493472 0.92 ACHE (0.55) ACHERAB9ADHODHNPC1HPGD
SCHEMBL29057032 0.92 ACHE (0.55) ACHERAB9ADHODHNPC1HPGD
SCHEMBL19503240 0.92 TSHR (0.55) ACHERAB9AALDH1A1DHODHNPC1
SCHEMBL6561397 0.91 ACHE (0.61) ACHERAB9AALDH1A1MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022211123-A1 TRANSVERSE CURRENT SUPPRESSING MATERIAL, CARBAZOLE COMPOUND, HOLE INJECTION LAYER, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2022-10-06 WO disclosed
CN-114621045-A Method for synthesizing polyaromatic hydrocarbon from aryl formaldehyde 长沙资材科技有限公司 2022-06-14 CN disclosed
US-20170324038-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-11-09 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-20170324038-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES DDT, VDAC2, VDAC3 ACHE 437/4885RAB9A 1809/4885ALDH1A1 368/4885

“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.