SCHEMBL18564402

SCHEMBL18564402

c1cc(-c2nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)nc(-c3cccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)n2)cc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL18564408 1.00 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL21365560 0.96 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL21365857 0.96 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL10014515 0.96 ATM (0.34) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL18564489 0.96 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL25628647 0.95 KDM4E (0.36) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL25662534 0.94 LIMK1 (0.33) ALOX5KDM4EATML3MBTL1
SCHEMBL21365855 0.94 ALOX5 (0.33) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL15785878 0.94 KDM4E (0.34) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL25133683 0.94 KDM4E (0.33) ALOX5KDM4EATML3MBTL1MAPT

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 888/4885KDM4E 225/4885ATM 3092/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 ALOX5 888/4885KDM4E 225/4885ATM 3092/4885

“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.