SCHEMBL17433296

SCHEMBL17433296

C=C(C)C(=O)Oc1c(C)cc(-c2cc(C)c(OC(=O)C(=C)C)c(C)c2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20436164 0.90 ATM (0.37) ELANEALDH1A1KMT2AATMHTT
SCHEMBL21033549 0.88 ELANE (0.49) ELANEKMT2AATMHTTKDM4E
SCHEMBL1521059 0.88 ELANE (0.39) ELANEALDH1A1KMT2AATMHTT
SCHEMBL18328824 0.86 CYP3A4 (0.38) ELANEALDH1A1KMT2AATMHTT
SCHEMBL16639591 0.86 ELANE (0.45) ELANEALDH1A1KMT2AATMHTT
SCHEMBL12253017 0.86 ELANE (0.33) ELANEALDH1A1KMT2AATMHTT
SCHEMBL21033548 0.86 CNR1 (0.45) ELANETP53MAPTTSHRHPGD
SCHEMBL24244636 0.85 ELANE (0.37) ELANEALDH1A1KMT2AATMHTT
SCHEMBL20120141 0.84 CA1 (0.40) ELANEALDH1A1KMT2AATMHTT
SCHEMBL25926083 0.83 ELANE (0.36) ELANEALDH1A1KMT2AATMHTT

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 2426/4885ALDH1A1 4796/4885KMT2A 3037/4885
US-20160215215-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT INCLUDING SAME NCAPD3, LBR, CCT4 ELANE 2419/4885ALDH1A1 4728/4885KMT2A 2838/4885

“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.