SCHEMBL18565638

SCHEMBL18565638

c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10oc%11ccccc%11c%10c9)ccc87)cc6)nc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10oc%11ccccc%11c%10c9)ccc87)cc6)n5)cc4)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
PLA2G2A P14555 3/20 0.36
PLA2G4A P47712 3/20 0.36
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PTGER4 P35408 1/20 0.35
PTPN1 P18031 1/20 0.34
AHR P35869 1/20 0.34

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
SCHEMBL18565635 0.99 CHEK2 (0.40) CHEK2KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL16805647 0.98 PLA2G2A (0.40) CHEK2KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL24362030 0.98 PLA2G2A (0.40) CHEK2KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL15786063 0.98 PLA2G2A (0.40) CHEK2KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL27333223 0.98 PLA2G2A (0.40) CHEK2KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL15248666 0.96 KDM4E (0.41) CHEK2KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL16943296 0.96 KDM4E (0.44) CHEK2KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL16805649 0.95 PLA2G2A (0.39) CHEK2KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL15786122 0.95 PLA2G2A (0.38) CHEK2KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL15294131 0.95 PLA2G2A (0.39) CHEK2KDM4EL3MBTL1ATMSMN1; SMN2

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 CHEK2 3359/4885KDM4E 225/4885L3MBTL1 1263/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 CHEK2 3359/4885KDM4E 225/4885L3MBTL1 1263/4885

“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.