SCHEMBL18385171

SCHEMBL18385171

CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8ccc(-c9ccccc9)cc8)n7)ccc5n6-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)cc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ RAC2 P15153 1/20 0.32
▸ RAC3 P60763 1/20 0.32
▸ CDC42 P60953 1/20 0.32
▸ RAC1 P63000 1/20 0.32
▸ NPY5R Q15761 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL18385195 1.00 TSPO (0.33) TSPOPTGER4RAC2RAC3CDC42
SCHEMBL18385201 1.00 TSPO (0.33) TSPOPTGER4RAC2RAC3CDC42
SCHEMBL18385172 1.00 TSPO (0.33) TSPOPTGER4RAC2RAC3CDC42
SCHEMBL18385489 0.99 PTGER4 (0.33) TSPOPTGER4RAC2RAC3CDC42
SCHEMBL18385484 0.99 PTGER4 (0.33) TSPOPTGER4RAC2RAC3CDC42
SCHEMBL18385488 0.99 PTGER4 (0.33) TSPOPTGER4RAC2RAC3CDC42
SCHEMBL18385482 0.99 PTGER4 (0.33) TSPOPTGER4RAC2RAC3CDC42
SCHEMBL18385173 0.99 PTGER4 (0.32) TSPOPTGER4RAC2RAC3CDC42
SCHEMBL18385197 0.99 PTGER4 (0.32) TSPOPTGER4RAC2RAC3CDC42
SCHEMBL18385504 0.97 PTGER4 (0.33) TSPOPTGER4RAC2RAC3CDC42

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 TSPO 1974/4885PTGER4 2521/4885RAC2 3600/4885

“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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