SCHEMBL21020281

SCHEMBL21020281

CN(c1ccc(C(C)(C)C)cc1)c1cccc2c1oc1c(F)cccc12

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
ACHE P22303 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL21020446 0.89 CYP1A1 (0.32) CYP2D6
SCHEMBL21020565 0.86 GAA (0.35) KCNH2GAAMAPTRAB9A
SCHEMBL20650731 0.85
SCHEMBL21020574 0.85 PRSS1 (0.32) PRSS1NR1I2LMNAADRA2ACYP2D6
SCHEMBL21021023 0.85 MCL1 (0.33) PRSS1NR1I2LMNAADRA2ACYP2D6
SCHEMBL21020278 0.84 NPC1 (0.36) SIGMAR1RAB9A
SCHEMBL21020295 0.84 EPHX2 (0.34) PRSS1NR1I2LMNAADRA2ACYP2D6
SCHEMBL21021041 0.83 PRSS1 (0.33) PRSS1NR1I2LMNAADRA2ACYP2D6
SCHEMBL21020435 0.82 MEN1 (0.36) PRSS1NR1I2LMNAADRA2ACYP2D6
SCHEMBL21020570 0.82 KDM4C (0.30) RAB9A

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 PRSS1 4788/4885NR1I2 1683/4885LMNA 3923/4885

“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.