SCHEMBL21020334

SCHEMBL21020334

CN(c1ccc(C(C)(C)C)cc1)c1cccc2c1sc1c(C(C)(C)C)cccc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL21020476 0.91 HDAC6 (0.33) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL21021508 0.91 HDAC6 (0.31)
SCHEMBL21020337 0.89 HSD17B1 (0.32)
SCHEMBL21021503 0.89 KIF11 (0.33) SIGMAR1
SCHEMBL21021506 0.88 POLB (0.32)
SCHEMBL21021491 0.86 NR1I2 (0.35) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL21021043 0.86 TNKS (0.40) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL21020335 0.85
SCHEMBL21020338 0.85 DHFR (0.32)
SCHEMBL20650786 0.85 NR1I2 (0.32) NR1I2LMNAADRA2ACYP2D6ACHE

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 NR1I2 1683/4885LMNA 3923/4885ADRA2A 4236/4885

“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.