SCHEMBL22454544

SCHEMBL22454544

C/C=C\c1oc2c(oc3ccccc32)c1/C=C\C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 4/20 0.33
MAOA P21397 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
AHR P35869 1/20 0.33
GLA P06280 1/20 0.33
PGAM1 P18669 1/20 0.33
CASP1 P29466 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL24849714 0.89 CA12 (0.32) ESR2KDM4EALDH1A1MAOAMAPT
SCHEMBL20967607 0.82 L3MBTL1 (0.40) KDM4EALDH1A1MAOAMAPTMEN1
SCHEMBL21117505 0.77 MAOA (0.50) KDM4EALDH1A1MAOAMAPTMEN1
SCHEMBL17192976 0.75 L3MBTL1 (0.37) KDM4EALDH1A1MAOAMAPTMEN1
SCHEMBL9065424 0.73 KDM4E (0.55) ESR2KDM4EALDH1A1MAOAMAPT
SCHEMBL18685767 0.73 KDM4E (0.47) KDM4EALDH1A1MAOAMAPTMEN1
SCHEMBL19546812 0.72 L3MBTL1 (0.58) KDM4EALDH1A1MAOAMAPTMEN1
SCHEMBL12646572 0.71 L3MBTL1 (0.37) KDM4EALDH1A1MAOAMAPTMEN1
SCHEMBL20416527 0.71 ALOX5 (0.35) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL20967601 0.70 KDM4E (0.36) KDM4EALDH1A1MAOAMAPTMEN1

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-20200303653-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-24 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-20200303653-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE COMT, MAOA, MAOB ESR2 656/4885KDM4E 317/4885ALDH1A1 188/4885

“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.