SCHEMBL18565898

SCHEMBL18565898

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-c5nc(-n6c7ccccc7c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc76)nc(-n6c7ccccc7c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc76)n5)cc4)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ PDK2 Q15119 4/20 0.31

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
SCHEMBL18565902 0.99 PTGER4 (0.33) PTGER4KDM4EATML3MBTL1HDAC4
SCHEMBL18565952 0.94 PTGER4 (0.33) PTGER4KDM4EATML3MBTL1HDAC4
SCHEMBL18565966 0.94 PTGER4 (0.33) PTGER4KDM4EATML3MBTL1HDAC4
SCHEMBL18565884 0.94 KDM4E (0.32) KDM4EATML3MBTL1HDAC4PDK2
SCHEMBL18385699 0.94 PTGER4 (0.31) PTGER4
SCHEMBL18565921 0.94 PTGER4 (0.35) PTGER4KDM4EATML3MBTL1HDAC4
SCHEMBL18385482 0.93 PTGER4 (0.33) PTGER4KDM4EATML3MBTL1HDAC4
SCHEMBL18385488 0.93 PTGER4 (0.33) PTGER4KDM4EATML3MBTL1HDAC4
SCHEMBL18385489 0.93 PTGER4 (0.33) PTGER4KDM4EATML3MBTL1HDAC4
SCHEMBL18385484 0.93 PTGER4 (0.33) PTGER4KDM4EATML3MBTL1HDAC4

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 PTGER4 1251/4885KDM4E 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 PTGER4 1251/4885KDM4E 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.

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