SCHEMBL18564489

SCHEMBL18564489

c1cc(-c2nc(-c3cccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)nc(-c3cccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)n2)cc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
MAPT P10636 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 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
SCHEMBL10014515 0.98 ATM (0.34) ALOX5MAPTRXFP1ATML3MBTL1
SCHEMBL21365857 0.96 ALOX5 (0.34) ALOX5MAPTRXFP1ATML3MBTL1
SCHEMBL18564402 0.96 ALOX5 (0.34) ALOX5MAPTRXFP1ATML3MBTL1
SCHEMBL21365560 0.96 ALOX5 (0.34) ALOX5MAPTRXFP1ATML3MBTL1
SCHEMBL25133683 0.96 KDM4E (0.33) ALOX5MAPTRXFP1ATML3MBTL1
SCHEMBL23595302 0.96 KDM4E (0.33) ALOX5MAPTRXFP1ATML3MBTL1
SCHEMBL18564408 0.96 ALOX5 (0.34) ALOX5MAPTRXFP1ATML3MBTL1
SCHEMBL21365854 0.95 KDM4E (0.32) ALOX5MAPTRXFP1ATML3MBTL1
SCHEMBL25134196 0.95 KDM4E (0.32) ALOX5MAPTRXFP1ATML3MBTL1
SCHEMBL26841941 0.95 ALOX5 (0.33) ALOX5MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-05-14 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device EED, BMI1, CD99 ALOX5 888/4885MAPT 1057/4885RXFP1 4854/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 ALOX5 888/4885MAPT 1057/4885RXFP1 4854/4885

“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.