SCHEMBL20172840

SCHEMBL20172840

CC(C)c1ccccc1N(C)c1cccc2c1oc1c(C(F)(F)F)cccc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
SLC6A4 P31645 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
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
RORC P51449 1/20 0.31
P2RY1 P47900 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
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

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
SCHEMBL21020271 0.90 P2RX7 (0.35) P2RX7SLC6A4SIGMAR1ACP1IDO1
SCHEMBL20172827 0.88 SIGMAR1 (0.33) SIGMAR1CRHBPCRHR2KIF11
SCHEMBL20172837 0.86 ACP1 (0.35) ACP1RORCKIF11
SCHEMBL21019995 0.85 SIGMAR1 (0.37) SIGMAR1
SCHEMBL20172806 0.83 SIGMAR1 (0.37) SIGMAR1
SCHEMBL20172842 0.83 ACP1 (0.33) ACP1KIF11
SCHEMBL20172835 0.83 ACP1 (0.33) ACP1ARKIF11
SCHEMBL20172838 0.83 ACP1 (0.33) ACP1NR1H2NR1H3KIF11
SCHEMBL20172795 0.81 GPR55 (0.38) SIGMAR1
SCHEMBL21020298 0.81 KDM4C (0.36) P2RX7AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (2 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 P2RX7 964/4885SLC6A4 3332/4885SIGMAR1 1467/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 P2RX7 964/4885SLC6A4 3332/4885SIGMAR1 1467/4885

“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.