SCHEMBL18385471

SCHEMBL18385471

CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc(-n8c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)cc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)ccc98)c7)n6)cc5)ccc43)cc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ RAC2 P15153 1/20 0.31
▸ RAC3 P60763 1/20 0.31
▸ CDC42 P60953 1/20 0.31
▸ RAC1 P63000 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ TSPO P30536 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ RXRA P19793 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
SCHEMBL18385485 1.00 KDM4E (0.35) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL18385318 1.00 KDM4E (0.35) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL18385526 0.99 PTGER4 (0.35) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL18385508 0.99 PTGER4 (0.35) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL18385605 0.99 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL18385233 0.99 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL18385493 0.99 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL18385480 0.99 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL18385182 0.99 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4RXFP1
SCHEMBL18385608 0.99 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4RXFP1

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-20170018719-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-01-19 — — US disclosed
US-20170018719-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-01-19 — — 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 (1 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-20170018719-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE CD99, BMI1, ETV6 KDM4E 255/4885ATM 2289/4885L3MBTL1 1515/4885

“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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