SCHEMBL18324945

SCHEMBL18324945

COc1c(F)cc(OC(F)(F)c2c(F)cc(-c3ccc(-c4ccc(C)c(C)c4)cc3F)cc2F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
ERN1 O75460 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PTGS2 P35354 4/20 0.32
APP P05067 1/20 0.32
CYP2C19 P33261 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C1 Q04828 1/20 0.32
PTGS1 P23219 1/20 0.32
AMY1A P0DUB6 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
CD274 Q9NZQ7 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL18324922 0.93 ALOX5AP (0.37) AKR1C3AKR1C2ERN1ALOX5APFEN1
SCHEMBL18324942 0.89 AKR1C3 (0.37) AKR1C3AKR1C2ERN1ALOX5APFEN1
SCHEMBL18324924 0.89 AKR1C3 (0.37) AKR1C3AKR1C2ERN1ALOX5APFEN1
SCHEMBL18324939 0.85 KDM4E (0.34) ALOX5APFEN1PTGS2CYP11B1CYP11B2
SCHEMBL18855112 0.84 AKR1C3 (0.34) AKR1C3AKR1C2ALOX5APFEN1PTGS2
SCHEMBL18324928 0.82 CYP11B1 (0.33) AKR1C3AKR1C2PTGS2AKR1B10AKR1C4
SCHEMBL20118151 0.82 ALOX5AP (0.37) AKR1C3AKR1C2ERN1ALOX5APFEN1
SCHEMBL21374095 0.81 PTGS2 (0.36) AKR1C3AKR1C2ALOX5APFEN1PTGS2
SCHEMBL18324925 0.81 KDM4E (0.32) PTGS2
SCHEMBL18324927 0.81 CYP11B1 (0.35) PTGS2PTGS1CYP11B1CYP11B2

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-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 921/4885ERN1 1913/4885

“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.