SCHEMBL21020005

SCHEMBL21020005

CCc1cccc2c1sc1c(N(C)c3ccccc3C(C)C)cccc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL21020009 0.90 NPC1 (0.34) SIGMAR1CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL21020007 0.86 CYP2D6 (0.38) SIGMAR1CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL20649787 0.86 GABRA1 (0.31) SIGMAR1
SCHEMBL21020012 0.82 TP53 (0.35) CYP1A2CYP2D6CYP2C19NPC1MEN1
SCHEMBL20172876 0.82 SIGMAR1 (0.35) SIGMAR1CYP1A2MEN1KMT2A
SCHEMBL20172886 0.81 SIGMAR1 (0.34) SIGMAR1CYP2D6
SCHEMBL21020013 0.81 ALDH1A1 (0.37) CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL21021487 0.81 CYP1A2 (0.36) SIGMAR1CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL20172870 0.81 GPR3 (0.37) SIGMAR1CYP2D6
SCHEMBL21020309 0.81 DHFR (0.32)

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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 SIGMAR1 2480/4885CYP1A2 563/4885CYP2D6 691/4885

“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.