SCHEMBL9924860

SCHEMBL9924860

CCCC1CCC2CC(C(=O)Oc3ccc(COc4ccc(OCC)c(F)c4F)cc3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.36
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MMP1 P03956 1/20 0.33
ADAM17 P78536 1/20 0.33
CCR5 P51681 1/20 0.33
ALOX5 P09917 2/20 0.33
PTGES O14684 1/20 0.32
PPARG P37231 1/20 0.32
PSEN1 P49768 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL9925105 0.97 F2 (0.35) F2USP2TP53TSHRMMP1
SCHEMBL9925180 0.96 F2 (0.34) F2USP2TP53TSHRMMP1
SCHEMBL9925092 0.85 CYP2C9 (0.38) USP2TP53TSHRRAB9AKMT2A
SCHEMBL9924809 0.85 F2 (0.41) F2USP2TP53TSHRSMN1; SMN2
SCHEMBL9925097 0.84 CYP2C9 (0.37) CCR5SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL11211137 0.84 USP2 (0.42) F2USP2TP53TSHRSMN1; SMN2
SCHEMBL11211140 0.84 USP2 (0.42) F2USP2TP53TSHRSMN1; SMN2
SCHEMBL9925050 0.84 F2 (0.35) F2USP2TP53TSHRRAB9A
SCHEMBL9925040 0.84 F2 (0.35) F2USP2TP53TSHRRAB9A
SCHEMBL9925108 0.84 CYP2C9 (0.39) TP53SMN1; SMN2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468707-B1 DECAHYDRONAPHTHALENE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES CONTAINING THE LIQUID CRYSTAL COMPOSITIONS JNC CORP (JP) 2017-08-02 EP disclosed
US-8465674-B2 Decahydronaphthalene compound, liquid crystal composition including the compound and liquid crystal display device containing the liquid crystal composition JNC CORPORATION (JP) 2013-06-18 US disclosed
US-8465674-B2 Decahydronaphthalene compound, liquid crystal composition including the compound and liquid crystal display device containing the liquid crystal composition JNC CORPORATION (JP) 2013-06-18 US disclosed
EP-2468707-A1 DECAHYDRONAPHTHALENE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY ELEMENTS CONTAINING THE LIQUID CRYSTAL COMPOSITIONS JNC Corporation (JP) 2012-06-27 EP disclosed
US-20120145959-A1 DECAHYDRONAPHTHALENE COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CONTAINING THE LIQUID CRYSTAL COMPOSITION JNC PETROCHEMICAL CORPORATION (JP) 2012-06-14 US disclosed
US-20120145959-A1 DECAHYDRONAPHTHALENE COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CONTAINING THE LIQUID CRYSTAL COMPOSITION JNC PETROCHEMICAL CORPORATION (JP) 2012-06-14 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-20120145959-A1 DECAHYDRONAPHTHALENE COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CONTAINING THE LIQUID CRYSTAL COMPOSITION DCUN1D2, OCIAD1, CPNE4 F2 249/4885USP2 1127/4885TP53 1964/4885

“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.