SCHEMBL11965809

SCHEMBL11965809

CC(O)c1ccc(-c2cccc(F)c2F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.37
▸ CES1 P23141 3/20 0.37
▸ TRPV3 Q8NET8 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ ROCK2 O75116 2/20 0.32
▸ ROCK1 Q13464 2/20 0.32
▸ CTSA P10619 2/20 0.32
▸ GRK6 P43250 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ PDE2A O00408 2/20 0.31
▸ SLC9A1 P19634 2/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL23363630 0.81 CES2 (0.52) CES2CES1BCHE
SCHEMBL27904303 0.81 CES2 (0.52) CES2CES1BCHE
SCHEMBL1993389 0.81 CES2 (0.52) CES2CES1BCHE
SCHEMBL30846991 0.81 CES2 (0.52) CES2CES1BCHE
SCHEMBL29757453 0.81 CES2 (0.52) CES2CES1BCHE
SCHEMBL1998634 0.78 CES2 (0.50) CES2CES1PDE2A
SCHEMBL12787049 0.78 ADRB2 (0.39) PDE2A
SCHEMBL4328219 0.74 CTSL (0.46) CES2CES1TRPV3BCHEGRK6
SCHEMBL3038641 0.73 CES2 (0.46) CES2CES1BCHEGRK6HSD11B1
SCHEMBL11953549 0.71 ACHE (0.41) CES2CES1BCHEDYRK1ACTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 — — 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-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 CES2 3894/4885CES1 4692/4885TRPV3 5/4885

“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.

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