SCHEMBL243390

SCHEMBL243390

c1ccc(N(c2ccccc2)c2cccc(C3(c4cccc(N(c5ccccc5)c5ccccc5)c4)c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PDK2 Q15119 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CFTR P13569 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
SCHEMBL19567732 0.98 ESR1 (0.42) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL20871917 0.98 MEN1 (0.46) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL20871776 0.97 MEN1 (0.44) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL22403499 0.97 MEN1 (0.44) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL22403624 0.97 MEN1 (0.44) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL10031186 0.94 ESR1 (0.40) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL10031193 0.92 ESR1 (0.39) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL19735410 0.92 MEN1 (0.41) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL19735578 0.92 MEN1 (0.41) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL12864073 0.91 MEN1 (0.42) ESR1ESR2MAPTMEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 — — US disclosed
US-9416310-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-08-16 — — US disclosed
US-9139765-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2015-09-22 — — US disclosed
US-9074128-B2 Metal complexes having azaborol ligands and electronic device having the same MERCK PATENT GMBH (DE) 2015-07-07 — — US disclosed
US-8722898-B2 — — 2014-05-13 — — US disclosed
US-20130046094-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-02-21 — — US disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-20120187349-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-07-26 — — US disclosed
US-20120004407-A1 METAL COMPLEXES HAVING AZABOROL LIGANDS AND ELECTRONIC DEVICE HAVING THE SAME MERCK PATENT GMBH (DE) 2012-01-05 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — 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 (5 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-20120187349-A1 MATERIALS FOR ELECTRONIC DEVICES SLC26A3, SLCO4C1, SLCO2A1 ESR1 116/4885ESR2 222/4885MAPT 1057/4885
US-20120004407-A1 METAL COMPLEXES HAVING AZABOROL LIGANDS AND ELECTRONIC DEVICE HAVING THE SAME ICOSLG, ERAL1, CTCF ESR1 258/4885ESR2 876/4885MAPT 3424/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 ESR1 79/4885ESR2 159/4885MAPT 578/4885
US-20130046094-A1 ORGANIC ELECTROLUMINESCENT DEVICE PIEZO1, L1CAM, OR10J3 ESR1 243/4885ESR2 401/4885MAPT 1428/4885
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 ESR1 36/4885ESR2 198/4885MAPT 302/4885

“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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