SCHEMBL12736201

SCHEMBL12736201

CCCCCCCOc1ccc(C2CCC(COc3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
CYP2C9 P11712 4/20 0.36
MOGAT2 Q3SYC2 4/20 0.36
PTPN11 Q06124 3/20 0.36
FFAR1 O14842 7/20 0.35
PPARD Q03181 5/20 0.35
FFAR4 Q5NUL3 2/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CNR2 P34972 1/20 0.33
DGAT1 O75907 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
SCHEMBL12736204 1.00 KDM1A (0.38) KDM1ACYP2C9MOGAT2PTPN11FFAR1
SCHEMBL12736200 1.00 KDM1A (0.38) KDM1ACYP2C9MOGAT2PTPN11FFAR1
SCHEMBL12736197 0.99 KDM1A (0.38) KDM1ACYP2C9MOGAT2PTPN11FFAR1
SCHEMBL12736189 0.97 KDM1A (0.39) KDM1ACYP2C9MOGAT2FFAR1PPARD
SCHEMBL12740798 0.93 PPARD (0.38) KDM1ACYP2C9MOGAT2PTPN11FFAR1
SCHEMBL12740795 0.93 PPARD (0.38) KDM1ACYP2C9MOGAT2PTPN11FFAR1
SCHEMBL12740796 0.93 PPARD (0.38) KDM1ACYP2C9MOGAT2PTPN11FFAR1
SCHEMBL14766142 0.93 FFAR1 (0.39) KDM1AFFAR1PPARDFFAR4
SCHEMBL12740794 0.92 PPARD (0.39) KDM1ACYP2C9MOGAT2PTPN11FFAR1
SCHEMBL14766140 0.91 FFAR1 (0.38) KDM1AFFAR1PPARDFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 KDM1A 937/4885CYP2C9 2816/4885MOGAT2 992/4885

“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.