SCHEMBL21123719

SCHEMBL21123719

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MGLL Q99685 1/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL22670513 1.00 ACHE (0.36) ACHEALDH1A1MAPTTDP1L3MBTL1
SCHEMBL22670071 1.00 ACHE (0.36) ACHEALDH1A1MAPTTDP1L3MBTL1
SCHEMBL22671493 1.00 ACHE (0.36) ACHEALDH1A1MAPTTDP1L3MBTL1
SCHEMBL22671529 0.98 ALDH1A1 (0.36) ACHEALDH1A1MAPTTDP1L3MBTL1
SCHEMBL22671446 0.98 ALDH1A1 (0.36) ACHEALDH1A1MAPTTDP1L3MBTL1
SCHEMBL22670619 0.98 ALDH1A1 (0.36) ACHEALDH1A1MAPTTDP1L3MBTL1
SCHEMBL22671913 0.98 ALDH1A1 (0.36) ACHEALDH1A1MAPTTDP1L3MBTL1
SCHEMBL22669997 0.98 ALDH1A1 (0.36) ACHEALDH1A1MAPTTDP1L3MBTL1
SCHEMBL22671935 0.98 ALDH1A1 (0.36) ACHEALDH1A1MAPTTDP1L3MBTL1
SCHEMBL22669632 0.98 ALDH1A1 (0.36) ACHEALDH1A1MAPTTDP1L3MBTL1

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-20200365814-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2020-11-19 US disclosed
US-20190207117-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-04 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-20190207117-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE MAOA, MAOB, COMT ACHE 76/4885ALDH1A1 47/4885MAPT 1599/4885

“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.