SCHEMBL6517546

SCHEMBL6517546

CCC[C@H]1CC[C@H](C2CCC(CCC(=O)Oc3ccc(OCC)c(F)c3F)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.45
KLK7 P49862 3/20 0.37
TOP2A P11388 2/20 0.35
CYP2C9 P11712 1/20 0.35
TLR4 O00206 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ACACB O00763 1/20 0.33
KMT2A Q03164 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
SCHEMBL6520754 1.00 HPGD (0.45) HPGDKLK7TOP2ACYP2C9TLR4
SCHEMBL6520750 1.00 HPGD (0.45) HPGDKLK7TOP2ACYP2C9TLR4
SCHEMBL10021271 0.93 HPGD (0.45) HPGDKLK7TOP2AACACBKMT2A
SCHEMBL14340375 0.88 HPGD (0.45) HPGDKLK7TOP2AMAPTKMT2A
SCHEMBL7910505 0.85 HPGD (0.42) HPGDCYP2C9TLR4ALDH1A1LMNA
SCHEMBL7910499 0.85 HPGD (0.42) HPGDCYP2C9TLR4ALDH1A1LMNA
SCHEMBL7910502 0.85 HPGD (0.42) HPGDCYP2C9TLR4ALDH1A1LMNA
SCHEMBL9359552 0.83 HPGD (0.37) HPGDCYP2C9ALDH1A1LMNAMAPT
SCHEMBL7907306 0.81 HPGD (0.44) HPGDCYP2C9ALDH1A1LMNAMAPT
SCHEMBL7907302 0.81 HPGD (0.44) HPGDCYP2C9ALDH1A1LMNAMAPT

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 claimed
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

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 HPGD 4742/4885KLK7 878/4885TOP2A 3688/4885

“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.