SCHEMBL11894639

SCHEMBL11894639

CCCc1ccc(-c2ccc(CCC(=O)OCC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.70
CYP4A11 Q02928 2/20 0.70
HRH3 Q9Y5N1 1/20 0.56
CYP4Z1 Q86W10 3/20 0.55
SYK P43405 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
MCL1 Q07820 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
P2RY12 Q9H244 1/20 0.46
CYP4F11 Q9HBI6 1/20 0.46
CYP4F12 Q9HCS2 1/20 0.46
FFAR1 O14842 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL10206072 0.95 CYP4F2 (0.77) CYP4F2CYP4A11HRH3CYP4Z1TDP1
SCHEMBL23512483 0.90 CYP4F2 (0.70) CYP4F2CYP4A11HRH3CYP4Z1SYK
SCHEMBL68902 0.89 CYP4F2 (0.85) CYP4F2CYP4A11HRH3CYP4Z1TDP1
SCHEMBL2772418 0.88 CYP4F2 (0.68) CYP4F2CYP4A11HRH3CYP4Z1TDP1
SCHEMBL435053 0.88 CYP4F2 (0.68) CYP4F2CYP4A11HRH3CYP4Z1SYK
SCHEMBL10736489 0.87 CYP4F2 (0.66) CYP4F2CYP4A11HRH3CYP4Z1SYK
SCHEMBL8613439 0.87 CYP4F2 (0.66) CYP4F2CYP4A11HRH3CYP4Z1SYK
SCHEMBL25146738 0.85 CYP4F2 (0.60) CYP4F2CYP4A11HRH3CYP4Z1SYK
SCHEMBL12000868 0.85 CYP4F2 (0.64) CYP4F2CYP4A11HRH3CYP4Z1SYK
SCHEMBL25146694 0.85 CYP4F2 (0.51) CYP4F2CYP4A11HRH3CYP4Z1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 US disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 US disclosed
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 US disclosed
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 (2 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 CYP4F2 4227/4885CYP4A11 2867/4885HRH3 850/4885
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 CYP4F2 723/4885CYP4A11 413/4885HRH3 4318/4885

“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.