SCHEMBL21717830

SCHEMBL21717830

CC(C)c1ccc(-c2ccc3c(c2)c2c4ccccc4cc4c5ccc(-c6ccc7cc8c9ccccc9n9c%10ccc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)c%11)cc%10c(c7c6)c89)cc5n3c42)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.33
AKR1B1 P15121 1/20 0.32
MAOB P27338 1/20 0.32
PIK3CD O00329 1/20 0.31
DHODH Q02127 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
PTGES O14684 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL22858285 0.90 PIK3CD (0.35) TSPOPIK3CDDHODHPTGESPSEN1
SCHEMBL21718110 0.86 PIK3CD (0.35) TSPOAKR1B1PIK3CDDHODHPTGES
SCHEMBL22679275 0.86 TSPO (0.39) TSPOMAOBRXRARXRBPTGES
SCHEMBL22868338 0.85 AKR1B1 (0.34) TSPOAKR1B1PIK3CDDHODHPTGES
SCHEMBL23029008 0.84 CASR (0.35) TSPO
SCHEMBL21717832 0.83 TSPO (0.39) TSPOMAOBPTGESPSEN1PSEN2
SCHEMBL22858283 0.83 TSPO (0.40) TSPOMAOBRXRARXRBPTGES
SCHEMBL21717382 0.83 TSPO (0.40) TSPOMAOBRXRARXRBPTGES
SCHEMBL21710662 0.83 NTSR1 (0.32) TSPOPIK3CD
SCHEMBL22858128 0.81 RORA (0.37) AKR1B1PSEN1PSEN2APH1BNCSTN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 TSPO 1263/4885AKR1B1 2451/4885MAOB 2771/4885

“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.