SCHEMBL21124231

SCHEMBL21124231

c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)cccc45)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ MMP12 P39900 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ PLA2G2A P14555 4/20 0.37
▸ PLA2G4A P47712 4/20 0.37
▸ TNKS O95271 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL21214785 0.99 AHR (0.41) AHRMEN1KMT2AMAPTHPGD
SCHEMBL21124066 0.99 AHR (0.41) AHRMEN1KMT2AMAPTHPGD
SCHEMBL21206195 0.97 AHR (0.42) AHRMEN1KMT2AMAPTHPGD
SCHEMBL21124044 0.96 ALOX5 (0.39) AHRMEN1KMT2AMAPTHPGD
SCHEMBL17720597 0.94 AHR (0.42) AHRMEN1KMT2AMAPTHPGD
SCHEMBL21206184 0.94 AHR (0.42) AHRMEN1KMT2AMAPTHPGD
SCHEMBL17720623 0.94 AHR (0.42) AHRMEN1KMT2AMAPTHPGD
SCHEMBL21123748 0.93 MCL1 (0.39) AHRMEN1KMT2AMAPTHPGD
SCHEMBL18326959 0.93 CA12 (0.41) AHRMEN1KMT2AMAPTHPGD
SCHEMBL25777799 0.93 CA12 (0.41) AHRMEN1KMT2AMAPTHPGD

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-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 AHR 89/4885MEN1 1574/4885KMT2A 731/4885

“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.

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