SCHEMBL12737366

SCHEMBL12737366

CCCCCCOc1ccc(C2CCC(C(=O)Oc3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.39
CYP2C9 P11712 3/20 0.38
MOGAT2 Q3SYC2 3/20 0.38
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
PPARD Q03181 2/20 0.37
TSHR P16473 1/20 0.35
CRBN Q96SW2 1/20 0.35
PPARA Q07869 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
FAAH O00519 2/20 0.34

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
SCHEMBL12737365 1.00 PTPN11 (0.39) PTPN11CYP2C9MOGAT2FFAR4FFAR1
SCHEMBL12737364 1.00 PTPN11 (0.39) PTPN11CYP2C9MOGAT2FFAR4FFAR1
SCHEMBL12737363 0.99 PTPN11 (0.38) PTPN11CYP2C9MOGAT2FFAR4FFAR1
SCHEMBL12737361 0.97 FFAR4 (0.39) PTPN11CYP2C9MOGAT2FFAR4FFAR1
SCHEMBL12742439 0.93 PTPN11 (0.39) PTPN11CYP2C9MOGAT2PPARDCRBN
SCHEMBL12742442 0.93 PTPN11 (0.39) PTPN11CYP2C9MOGAT2PPARDCRBN
SCHEMBL12742447 0.93 PTPN11 (0.39) PTPN11CYP2C9MOGAT2PPARDCRBN
SCHEMBL14766109 0.93 FFAR4 (0.43) PTPN11FFAR4FFAR1PPARDCRBN
SCHEMBL12742432 0.92 PTPN11 (0.38) PTPN11CYP2C9MOGAT2FFAR1PPARD
SCHEMBL14766206 0.91 FFAR4 (0.42) PTPN11FFAR4FFAR1PPARDCRBN

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 PTPN11 3889/4885CYP2C9 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.