SCHEMBL18239161

SCHEMBL18239161

c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)c2ccccc2n2c4ccccc4c4ccc5c6ccccc6n3c5c42)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.36
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32

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
SCHEMBL18239144 0.92 PTGES (0.34) TSPOESR1ESR2PTGES
SCHEMBL18239152 0.91 TSPO (0.34) TSPOESR1ESR2ACMSDTUBB4A
SCHEMBL18239163 0.88 TSPO (0.40) TSPORXRARXRBKDM4EALDH1A1
SCHEMBL20363887 0.88 TSPO (0.39) TSPOESR1ESR2HSD17B1HSD17B2
SCHEMBL16842757 0.88 HSD17B1 (0.39) TSPOESR1ESR2HSD17B1HSD17B2
SCHEMBL18239160 0.87 KDM4E (0.36) TSPOKDM4EALDH1A1POLBMAPT
SCHEMBL22109534 0.86 TSPO (0.34) TSPOPTGESALDH1A1
SCHEMBL16842930 0.85 HSD17B1 (0.36) TSPOESR1ESR2HSD17B1HSD17B2
SCHEMBL16842751 0.85 HSD17B1 (0.35) TSPOESR1ESR2HSD17B1HSD17B2
SCHEMBL20363838 0.84 HSD17B1 (0.35) TSPOHSD17B1HSD17B2PER2CRY1

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-20180151809-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2018-05-31 US disclosed
US-20180151809-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2018-05-31 US disclosed
WO-2016182186-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-11-17 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-20180151809-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ELAVL1, OPA1, MT-ND4 TSPO 1157/4885ESR1 199/4885ESR2 662/4885

“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.