SCHEMBL21021079

SCHEMBL21021079

C=Cc1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
CYP3A4 P08684 2/20 0.58
TP53 P04637 2/20 0.58
HSD17B10 Q99714 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
APP P05067 3/20 0.44
TSHR P16473 1/20 0.43
CYP19A1 P11511 4/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KIF11 P52732 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL87361 0.92
Hydrochloric Acid SCHEMBL761106 0.89 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TP53HSD17B10
Iodide SCHEMBL28958609 0.89 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TP53HSD17B10
Ethylene SCHEMBL28350605 0.89 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TP53HSD17B10
Cesium SCHEMBL30125471 0.89 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TP53HSD17B10
Butadiene SCHEMBL28697396 0.86 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TP53HSD17B10
Nitrogen SCHEMBL28798402 0.86 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TP53HSD17B10
SCHEMBL583978 0.86 ALDH1A1 (0.79) ALDH1A1TDP1CYP3A4TP53TSHR
SCHEMBL593791 0.86 ALDH1A1 (0.79) ALDH1A1TDP1CYP3A4TP53TSHR
SCHEMBL1697580 0.84 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239199-A1 POLYMER AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-12-14 WO disclosed
WO-2023113475-A1 POLYMER AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-06-22 WO disclosed
WO-2023003186-A1 POLYMER, AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2021145639-A1 POLYMER AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 엘지화학 2021-07-22 WO disclosed
US-20190157566-A1 ORGANIC COMPOUND, AND LIGHT-EMITTING DIODE AND LIGHT-EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2019-05-23 US disclosed
CN-104169336-B Curable composition, cured product, and organic electroluminescent element using same 新日铁住金化学株式会社 2016-08-31 CN disclosed
CN-104169336-A Curable composition, cured product, and organic electroluminescent element using same NIPPON STEEL & SUMIKIN CHEM CO 2014-11-26 CN 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-20190157566-A1 ORGANIC COMPOUND, AND LIGHT-EMITTING DIODE AND LIGHT-EMITTING DEVICE INCLUDING THE SAME DRD1, DRD3, DRD4 ALDH1A1 30/4885TDP1 1509/4885CYP3A4 229/4885

“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.