SCHEMBL18324937

SCHEMBL18324937

Cc1ccc(-c2ccc(-c3cc(F)cc(F)c3)c(F)c2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1B10 O60218 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PTGS2 P35354 5/20 0.41
PDE3B Q13370 4/20 0.41
PDE3A Q14432 4/20 0.41
PTGS1 P23219 2/20 0.41
PGR P06401 1/20 0.36
DAPK3 O43293 1/20 0.36
NTRK1 P04629 1/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
KMO O15229 1/20 0.36
MCL1 Q07820 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
SCHEMBL19912967 0.88 PTGS2 (0.50) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL16945883 0.87 PTGS2 (0.46) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL10304723 0.84 PGR (0.42) PTGS2PTGS1PGRMCL1
SCHEMBL21374093 0.83 PTGS2 (0.46) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL19182511 0.83 PDE3B (0.42) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL23173084 0.82 AKR1C3 (0.58) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL13703908 0.82 AKR1C3 (0.58) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL12446947 0.82 NISCH (0.47) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL21373998 0.81 PTGS2 (0.45) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL5048773 0.81 PTGS2 (0.47) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1

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-9862886-B2 Compound, liquid crystal composition including the same, and liquid crystal display device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-09 US disclosed
US-20160369167-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, AND LIQUID CRYSTAL DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-22 US disclosed
US-20160369167-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, AND LIQUID CRYSTAL DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-22 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-20160369167-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, AND LIQUID CRYSTAL DISPLAY DEVICE INCLUDING THE SAME SCO2, NCAPD3, OCIAD2 AKR1C3 387/4885AKR1C2 921/4885AKR1B10 2064/4885

“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.