SCHEMBL18385481

SCHEMBL18385481

CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6nc(-c7ccccc7)cc(-c7ccc(-c8ccccc8)cc7)n6)cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc76)c5)ccc43)cc21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.32
▸ TSPO P30536 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ NTSR1 P30989 1/20 0.30
▸ NPY5R Q15761 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL18385459 1.00 PDK2 (0.32) PDK2TSPOPTGER4MEN1KMT2A
SCHEMBL18385467 0.99 PTGER4 (0.31) PDK2TSPOPTGER4MEN1KMT2A
SCHEMBL18385456 0.99 PTGER4 (0.31) PDK2TSPOPTGER4MEN1KMT2A
SCHEMBL18385474 0.97 MEN1 (0.32) PDK2TSPOPTGER4MEN1KMT2A
SCHEMBL18385477 0.97 MEN1 (0.32) PDK2TSPOPTGER4MEN1KMT2A
SCHEMBL18385487 0.97 MEN1 (0.32) PDK2TSPOPTGER4MEN1KMT2A
SCHEMBL18385476 0.97 MEN1 (0.32) PDK2TSPOPTGER4MEN1KMT2A
SCHEMBL18385469 0.96 MEN1 (0.33) PTGER4MEN1KMT2AALDH1A1MAPT
SCHEMBL18385465 0.96 MEN1 (0.33) PTGER4MEN1KMT2AALDH1A1MAPT
SCHEMBL8734567 0.96 PDK2 (0.33) PDK2TSPOPTGER4MEN1KMT2A

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 PDK2 2418/4885TSPO 1974/4885PTGER4 2521/4885

“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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