SCHEMBL21020271

SCHEMBL21020271

CC(C)c1cccc2c1oc1c(N(C)c3ccccc3C(F)(F)F)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
RORC P51449 1/20 0.33
SLC6A4 P31645 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HSD11B1 P28845 1/20 0.32
ACP1 P24666 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
P2RY1 P47900 1/20 0.31
ACP3 P15309 1/20 0.30
AR P10275 1/20 0.30
MC4R P32245 1/20 0.30
KIF11 P52732 1/20 0.30
TRPA1 O75762 1/20 0.30
ESR1 P03372 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
SCHEMBL20172840 0.90 P2RX7 (0.35) P2RX7RORCSLC6A4SMN1; SMN2SIGMAR1
SCHEMBL21019993 0.88 SIGMAR1 (0.33) SIGMAR1CRHBPCRHR2KIF11
SCHEMBL20172837 0.86 ACP1 (0.35) RORCACP1KIF11ESR1
SCHEMBL21019995 0.85 SIGMAR1 (0.37) SIGMAR1
SCHEMBL21019992 0.83 SIGMAR1 (0.34) SIGMAR1
SCHEMBL20172803 0.83 MCL1 (0.33) RORCACP1ARKIF11ESR1
SCHEMBL20172828 0.83 ACP1 (0.33) RORCACP1KIF11ESR1
SCHEMBL20172811 0.83 ACP1 (0.33) RORCHSD11B1ACP1NR1H2NR1H3
SCHEMBL21020270 0.81 KCNK3 (0.39) SIGMAR1P2RY1
SCHEMBL21019996 0.81 SIGMAR1 (0.35) SIGMAR1

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 P2RX7 2705/4885RORC 729/4885SLC6A4 874/4885

“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.