SCHEMBL21703740

SCHEMBL21703740

CNc1ccc2oc3ccc4ccccc4c3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 3/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
CYP1A2 P05177 2/20 0.41
AHR P35869 2/20 0.41
CYP1A1 P04798 1/20 0.41
FYN P06241 1/20 0.41
MAPK3 P27361 1/20 0.41
PAX8 Q06710 1/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
HNF4A P41235 2/20 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
SCHEMBL17740591 0.83 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL17382564 0.81 TDP1 (0.43) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL6485183 0.81 MEN1 (0.53) ALDH1A1KDM4ENPC1RAB9ACA12
SCHEMBL23423605 0.79 ABCG2 (0.47) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL16807708 0.79 AHR (0.50) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL16194520 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL9779121 0.78 CYP1A2 (0.48) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL19735274 0.77 KIF11 (0.42) ALDH1A1KDM4ENPC1RAB9ACA12
SCHEMBL29705977 0.77 AHR (0.49) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL20209355 0.77 AHR (0.49) ALDH1A1KDM4ENPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301182-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 US disclosed
WO-2020032574-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-02-13 WO 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-20230301182-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME OR10J3, ESR1, EPCAM ALDH1A1 496/4885KDM4E 656/4885NPC1 2161/4885

“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.