SCHEMBL22249796

SCHEMBL22249796

c1ccc2c(c1)c1ccccc1c1cc3c(cc21)oc1ncncc13

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
ALDH2 P05091 1/20 0.33
AHR P35869 1/20 0.33
EGFR P00533 1/20 0.32
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCHR1 Q99705 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
THRB P10828 1/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAOA P21397 1/20 0.30

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
SCHEMBL26423219 0.83 EGFR (0.39) KDM4EALDH1A1EGFRHPGDCYP1A2
SCHEMBL29721611 0.82 ALDH1A1 (0.47) KDM4EALDH1A1AHREGFRHPGD
SCHEMBL4479408 0.82 ALDH1A1 (0.47) KDM4EALDH1A1AHREGFRHPGD
SCHEMBL22249679 0.77 SMN1; SMN2 (0.36) KDM4EALDH1A1ALDH2AHREGFR
SCHEMBL22250026 0.75 IDO1 (0.39) KDM4EALDH1A1ALDH2AHRHPGD
SCHEMBL22249798 0.75 KMT2A (0.42) KDM4EALDH1A1ALDH2AHRHPGD
SCHEMBL26423444 0.75
SCHEMBL26423347 0.74 HASPIN (0.41) MAOA
SCHEMBL22250080 0.74 AHR (0.38) KDM4EALDH1A1ALDH2AHRMAPT
SCHEMBL26423346 0.74 HASPIN (0.41) MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200235306-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-07-23 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-20200235306-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME OR10J3, PIEZO1, ODC1 KDM4E 1878/4885ALDH1A1 63/4885ALDH2 66/4885

“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.