SCHEMBL17985176

SCHEMBL17985176

CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.33
▸ TSPO P30536 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL17985179 0.96 PTGER4 (0.31) PTGER4
SCHEMBL17985180 0.94 PTGER4 (0.32) PTGER4
SCHEMBL15248520 0.93 KDM4E (0.35) PTGER4TSPOKDM4EATML3MBTL1
SCHEMBL15806125 0.92 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1
SCHEMBL802684 0.92 KDM1A (0.30) TSPO
SCHEMBL16406756 0.92 PTGER4 (0.35) PTGER4TSPOKDM4EATML3MBTL1
SCHEMBL17985383 0.92 KDM1A (0.30) TSPO
SCHEMBL19104505 0.91 PTGER4 (0.33) PTGER4TSPOKDM4EATML3MBTL1
SCHEMBL15806079 0.91 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1
SCHEMBL15806101 0.91 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1

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
EP-3250658-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-06-19 — — EP disclosed
US-20180006237-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-01-04 — — US disclosed
WO-2016119992-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-04 — — WO 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-20180006237-A1 MATERIALS FOR ELECTRONIC DEVICES VDAC3, VDAC2, EED PTGER4 1436/4885TSPO 890/4885KDM4E 1754/4885

“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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