SCHEMBL872279

SCHEMBL872279

CCCCC[C@H]1CC[C@H](c2ccc(I)c(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.37
SPHK1 Q9NYA1 3/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
S1PR3 Q99500 1/20 0.35
ESR2 Q92731 1/20 0.35
S1PR1 P21453 5/20 0.33
SGPL1 O95470 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 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
SCHEMBL872280 1.00 CYP2C9 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL2868886 0.99 SPHK1 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL1813183 0.91 CYP3A4 (0.35) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL2888385 0.90 CYP2C9 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL2888389 0.90 CYP2C9 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL2880137 0.90 CYP2C9 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL1816168 0.90 CYP2C9 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL9013693 0.88 OPRL1 (0.33) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8463867 0.87 CYP2C9 (0.41) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8463858 0.87 CYP2C9 (0.41) CYP2C9MAPTMEN1KMT2AALDH1A1

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-2123623-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-08-07 EP disclosed
US-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 US disclosed
US-7846514-B2 Liquid crystal compound, liquid crystal composition and, liquid crystal display device CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2010-03-25 US disclosed
EP-2123623-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-25 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 (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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 CYP2C9 3544/4885MAPT 667/4885MEN1 1110/4885
US-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT TRPV4, TRPV5, ZKSCAN2 CYP2C9 2077/4885MAPT 179/4885MEN1 4629/4885

“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.