SCHEMBL6522533

SCHEMBL6522533

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C=CC(=O)OCC)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
HCAR2 Q8TDS4 4/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 3/20 0.34
NAAA Q02083 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6522520 1.00 PKM (0.36) PKMMEN1KMT2AHTTHCAR2
SCHEMBL9866261 1.00 PKM (0.36) PKMMEN1KMT2AHTTHCAR2
SCHEMBL6522528 1.00 PKM (0.36) PKMMEN1KMT2AHTTHCAR2
SCHEMBL6522523 1.00 PKM (0.36) PKMMEN1KMT2AHTTHCAR2
SCHEMBL9868168 0.96 MAPT (0.37) PKMHTTHCAR2ATMCYP1A2
SCHEMBL9868155 0.96 MAPT (0.37) PKMHTTHCAR2ATMCYP1A2
SCHEMBL9868171 0.96 MAPT (0.37) PKMHTTHCAR2ATMCYP1A2
SCHEMBL9868163 0.96 MAPT (0.37) PKMHTTHCAR2ATMCYP1A2
SCHEMBL10798119 0.96 PKM (0.39) PKMMEN1KMT2AHTTHCAR2
SCHEMBL10798114 0.96 PKM (0.39) PKMMEN1KMT2AHTTHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1179522-B1 Liquid crystalline compound having a difluoropropyleneoxy group as bonding group, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2005-12-07 EP disclosed
US-6544604-B2 Large dielectric anisotropy and low refractive anisotropy; for driving elements at low voltage CHISSO CORPORATION (JP) 2003-04-08 US disclosed
US-20020119260-A1 Liquid crystalline compound having difluoropropyleneoxy group as bonding group, liquid crystal composition and liquid crystal display element JNC PETROCHEMICAL CORPORATION (JP) 2002-08-29 US disclosed
EP-1179522-A1 Liquid crystalline compound having a difluoropropyleneoxy group as bonding group, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 2002-02-13 EP disclosed
US-5032312-A Liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-07-16 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-20020119260-A1 Liquid crystalline compound having difluoropropyleneoxy group as bonding group, liquid crystal composition and liquid crystal display element OCIAD2, HCN2, OCIAD1 PKM 3708/4885MEN1 3446/4885KMT2A 2066/4885

“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.