SCHEMBL18324919

SCHEMBL18324919

Cc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.34
PTGS1 P23219 2/20 0.33
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
KMO O15229 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
NISCH Q9Y2I1 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
SCHEMBL18324930 0.99 PTGS2 (0.33) PTGS2PTGS1KDM4EGAAMAPT
SCHEMBL18324935 0.95 PTGS2 (0.34) PTGS2PTGS1NISCH
SCHEMBL18324928 0.93 CYP11B1 (0.33) PTGS2PTGS1KDM4EGAAMAPT
SCHEMBL18324924 0.92 AKR1C3 (0.37) PTGS2PTGS1
SCHEMBL18324927 0.91 CYP11B1 (0.35) PTGS2PTGS1KDM4EGAAMAPT
SCHEMBL21374095 0.89 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL18324939 0.88 KDM4E (0.34) PTGS2KDM4EGAAMAPTMAPK1
SCHEMBL18324929 0.88 PTGS2 (0.32) PTGS2PTGS1CYP11B1CYP11B2RXRA
SCHEMBL18324942 0.87 AKR1C3 (0.37) PTGS2PTGS1CYP11B1CYP11B2RXRA
SCHEMBL2741546 0.85 CYP11B1 (0.34) MAPTCYP11B1CYP11B2

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 PTGS2 4053/4885PTGS1 4355/4885KDM4E 3368/4885

“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.