SCHEMBL20714818

SCHEMBL20714818

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)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 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ PLA2G2A P14555 3/20 0.37
▸ PLA2G4A P47712 3/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ TNKS O95271 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL17720623 0.99 AHR (0.42) AHRMEN1KMT2AMAPTHPGD
SCHEMBL17720597 0.99 AHR (0.42) AHRMEN1KMT2AMAPTHPGD
SCHEMBL17720594 0.97 AHR (0.44) AHRMEN1KMT2AMAPTHPGD
SCHEMBL27270076 0.95 AHR (0.38) AHRMEN1KMT2AMAPTHPGD
SCHEMBL27270077 0.94 AHR (0.40) AHRMEN1KMT2AMAPTHPGD
SCHEMBL17720661 0.94 PLA2G2A (0.42) AHRMEN1KMT2AMAPTHPGD
SCHEMBL21214785 0.94 AHR (0.41) AHRMEN1KMT2AMAPTHPGD
SCHEMBL24944522 0.94 HCRTR1 (0.38) AHRMEN1KMT2AMAPTHPGD
SCHEMBL17720629 0.93 AHR (0.39) AHRMEN1KMT2AMAPTHPGD
SCHEMBL17720604 0.93 AHR (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11230521-B2 Monoamine compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2022-01-25 — — US disclosed
US-20190039996-A1 MONOAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-02-07 — — 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 (2 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-11230521-B2 Monoamine compound and organic electroluminescence device including the same MAOA, MAOB, COMT AHR 548/4885MEN1 500/4885KMT2A 393/4885
US-20190039996-A1 MONOAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME MAOA, MAOB, COMT AHR 548/4885MEN1 500/4885KMT2A 393/4885

“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.

Send feedback