SCHEMBL18385149

SCHEMBL18385149

CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccccc7)cc6)n5)ccc43)cc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.33
▸ TSPO P30536 1/20 0.32
▸ NPY5R Q15761 1/20 0.31
▸ KDM4E B2RXH2 4/20 0.31
▸ MAPK1 P28482 3/20 0.31
▸ L3MBTL1 Q9Y468 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HDAC4 P56524 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL18385145 1.00 PDK2 (0.33) PDK2TSPONPY5RKDM4EMAPK1
SCHEMBL18385124 1.00 PDK2 (0.33) PDK2TSPONPY5RKDM4EMAPK1
SCHEMBL18385120 1.00 PDK2 (0.33) PDK2TSPONPY5RKDM4EMAPK1
SCHEMBL18385154 0.99 NPY5R (0.31) PDK2TSPONPY5RKDM4EMAPK1
SCHEMBL18385122 0.99 NPY5R (0.31) PDK2TSPONPY5RKDM4EMAPK1
SCHEMBL6375084 0.99 NPY5R (0.31) PDK2TSPONPY5RKDM4EMAPK1
SCHEMBL18385441 0.98 KDM4E (0.33) PDK2TSPONPY5RKDM4EMAPK1
SCHEMBL18385439 0.98 KDM4E (0.33) PDK2TSPONPY5RKDM4EMAPK1
SCHEMBL18385472 0.98 KDM4E (0.33) PDK2TSPONPY5RKDM4EMAPK1
SCHEMBL18385432 0.98 KDM4E (0.33) PDK2TSPONPY5RKDM4EMAPK1

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 1974/4885NPY5R 2788/4885

“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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