SCHEMBL21117322

SCHEMBL21117322

Oc1cc(Oc2cc(O)cc3ccccc23)c2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.59
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
MPI P34949 1/20 0.52
TRPM4 Q8TD43 1/20 0.45
CDC25B P30305 3/20 0.43
CYP1A2 P05177 3/20 0.43
HSD17B10 Q99714 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
GLA P06280 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS1 P23219 1/20 0.37
ALOX5 P09917 1/20 0.37
DAO P14920 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.35

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
SCHEMBL5992232 0.88 NQO2 (0.52) NQO2ALDH1A1KDM4EMEN1HPGD
SCHEMBL7551728 0.83 NQO2 (0.55) NQO2ALDH1A1KDM4EMEN1HPGD
SCHEMBL30767112 0.80 NQO2 (0.52) NQO2ALDH1A1KDM4EMEN1HPGD
SCHEMBL15946484 0.79 NQO2 (0.50) NQO2ALDH1A1KDM4EMEN1HPGD
SCHEMBL9438223 0.77 NQO2 (0.48) NQO2ALDH1A1KDM4EMEN1HPGD
SCHEMBL7734702 0.77 NQO2 (0.48) NQO2ALDH1A1KDM4EMEN1HPGD
SCHEMBL10040395 0.77 NQO2 (0.48) NQO2ALDH1A1KDM4EMEN1HPGD
SCHEMBL13871447 0.77 CYP1A2 (0.46) NQO2ALDH1A1CYP1A2HSD17B10CYP2C19
SCHEMBL11022340 0.76 NQO2 (0.52) NQO2ALDH1A1KDM4EMEN1HPGD
SCHEMBL15249124 0.75 MEN1 (0.55) NQO2KDM4EMEN1KMT2AMAPT

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
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-06-25 US disclosed
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-06-25 US disclosed
US-20190194237-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-06-27 US disclosed
EP-3502117-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2019-06-26 EP 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-20190194237-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, LEF1, OCIAD1 NQO2 3932/4885ALDH1A1 147/4885KDM4E 2493/4885
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 NQO2 3932/4885ALDH1A1 147/4885KDM4E 2493/4885

“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.