SCHEMBL18324916

SCHEMBL18324916

Cc1ccc(-c2ccc(-c3cc(F)c(OC(F)(F)c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.34
AKR1C3 P42330 4/20 0.33
AKR1C2 P52895 4/20 0.33
PTGS2 P35354 4/20 0.33
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
PTGS1 P23219 2/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 1/20 0.32
AKR1B10 O60218 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C1 Q04828 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
SCHEMBL18324940 0.92 RXRA (0.34) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL18324931 0.90 PTGS2 (0.36) APPAKR1C3AKR1C2PTGS2ALOX5AP
SCHEMBL18324921 0.90 AKR1C3 (0.34) APPAKR1C3AKR1C2PTGS2ALOX5AP
SCHEMBL18324920 0.89 RXRA (0.32) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL18324917 0.83 PTGS2 (0.33) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL18324942 0.82 AKR1C3 (0.37) APPAKR1C3AKR1C2PTGS2ALOX5AP
SCHEMBL18324932 0.80 PTGS2 (0.32) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL18324915 0.80 PTGS2 (0.34) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL18324922 0.80 ALOX5AP (0.37) APPAKR1C3AKR1C2PTGS2ALOX5AP
SCHEMBL18324945 0.80 AKR1C3 (0.35) APPAKR1C3AKR1C2PTGS2ALOX5AP

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 2 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

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 APP 3496/4885AKR1C3 387/4885AKR1C2 921/4885

“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.