SCHEMBL22255609

SCHEMBL22255609

c1ccc(-c2cc3ccccc3cc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc5ccccc5cc4-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PSMB5 P28074 2/20 0.40
GPR84 Q9NQS5 3/20 0.40
RAB9A P51151 2/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CRHBP P24387 1/20 0.38
ATM Q13315 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL21203443 1.00 PTGS2 (0.50) PTGS2ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL10033648 0.98 PTGS2 (0.49) PTGS2ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL21203468 0.98 PTGS2 (0.49) PTGS2ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL22452118 0.98 PTGS2 (0.49) PTGS2ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL21203455 0.96 PTGS2 (0.47) PTGS2ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL21203572 0.96 PTGS2 (0.50) PTGS2ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL21203459 0.96 PTGS2 (0.50) PTGS2ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL24945291 0.94 PTGS2 (0.46) PTGS2ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL23790621 0.94 ALDH1A1 (0.46) PTGS2ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL22452152 0.93 PTGS2 (0.45) PTGS2ALDH1A1KDM4EL3MBTL1TDP1

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-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 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-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC18A2, SLC18A1, MAOA PTGS2 3330/4885ALDH1A1 89/4885KDM4E 1377/4885

“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.