SCHEMBL17433306

SCHEMBL17433306

C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc4cc(OC(=O)C(=C)C)ccc4c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.51
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 3/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAPDH P04406 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
GSTP1 P09211 1/20 0.38
FFAR1 O14842 1/20 0.37
NCEH1 Q6PIU2 1/20 0.37

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
SCHEMBL11961803 1.00 ELANE (0.51) ELANEKMT2AATMLMNAGAA
SCHEMBL10014244 0.93 ELANE (0.47) ELANEKMT2AATMHSD17B1HSD17B2
SCHEMBL22078596 0.93 ELANE (0.51) ELANEKMT2AATMLMNAGAA
SCHEMBL11961798 0.93 ELANE (0.46) ELANEKMT2AATMLMNAGAA
SCHEMBL19789541 0.92 ELANE (0.44) ELANEKMT2AATMLMNAGAA
SCHEMBL22078754 0.92 HSD17B1 (0.51) ELANEKMT2AATMHSD17B1HSD17B2
SCHEMBL19524167 0.92 ELANE (0.55) ELANEKMT2AATMLMNAGAA
SCHEMBL16977646 0.91 ELANE (0.51) ELANEKMT2AATMLMNAGAA
SCHEMBL16641176 0.90 HSD17B1 (0.44) ELANEKMT2AATMLMNAGAA
SCHEMBL803231 0.89 ELANE (0.56) ELANEKMT2AATMLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040997-B2 Nematic liquid crystal composition and liquid crystal display element including same DIC CORPORATION (JP) 2018-08-07 US disclosed
US-10040997-B2 Nematic liquid crystal composition and liquid crystal display element including same DIC CORPORATION (JP) 2018-08-07 US disclosed
US-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed
US-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed
US-20160319191-A1 NEMATIC LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT OBTAINED USING SAME DIC CORPORATION (JP) 2016-11-03 US disclosed
US-20160319191-A1 NEMATIC LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT OBTAINED USING SAME DIC CORPORATION (JP) 2016-11-03 US disclosed
US-20160215215-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT INCLUDING SAME DIC CORPORATION (JP) 2016-07-28 US disclosed
US-20160215215-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT INCLUDING SAME DIC CORPORATION (JP) 2016-07-28 US disclosed
US-20160009999-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DEVICE USING THE SAME DIC CORPORATION (JP) 2016-01-14 US disclosed
US-20160009999-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DEVICE USING THE SAME DIC CORPORATION (JP) 2016-01-14 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 (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-10040997-B2 Nematic liquid crystal composition and liquid crystal display element including same LBR, NCAPD3, CCT4 ELANE 2426/4885KMT2A 3037/4885ATM 2370/4885
US-20160215215-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT INCLUDING SAME NCAPD3, LBR, CCT4 ELANE 2419/4885KMT2A 2838/4885ATM 2397/4885

“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.