SCHEMBL17370396

SCHEMBL17370396

C=C(C)C(=O)OC(=O)Oc1ccc(C#Cc2cc(OC(=O)OC(=O)C(=C)C)c(-c3ccc(OC(=O)OC(=O)C(=C)C)cc3)c(OC(=O)OC(=O)C(=C)C)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
KMT2A Q03164 3/20 0.33
ATM Q13315 1/20 0.33
ACACB O00763 14/20 0.32
MEN1 O00255 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APP P05067 1/20 0.31
BACE1 P56817 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
SCHEMBL17370423 0.99 ELANE (0.36) ELANEKMT2AATMACACBMEN1
SCHEMBL17370599 0.95 ELANE (0.39) ELANEKMT2AATMACACBMEN1
SCHEMBL17370261 0.89 ELANE (0.44) ELANEKMT2AATMACACBMEN1
SCHEMBL17370617 0.87 ELANE (0.43) ELANEKMT2AATMACACBMEN1
SCHEMBL17370555 0.86 ELANE (0.41) ELANEKMT2AATMACACBMEN1
SCHEMBL17370435 0.84 ELANE (0.44) ELANEKMT2AATMACACBMEN1
SCHEMBL17370273 0.83 THRB (0.38) ELANEKMT2AATMACACBAPP
SCHEMBL17370616 0.82 THRB (0.37) ELANEKMT2AATMACACBAPP
SCHEMBL17370495 0.81 ELANE (0.41) ELANEKMT2AATMACACBMEN1
SCHEMBL17370662 0.81 ELANE (0.41) ELANEKMT2AATMACACBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708534-B2 Polymerizable compound having triple bond, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-07-18 US disclosed
US-9708534-B2 Polymerizable compound having triple bond, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-07-18 US disclosed
US-20150376505-A1 POLYMERIZABLE COMPOUND HAVING TRIPLE BOND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-31 US disclosed
US-20150376505-A1 POLYMERIZABLE COMPOUND HAVING TRIPLE BOND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-31 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-20150376505-A1 POLYMERIZABLE COMPOUND HAVING TRIPLE BOND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CCNT1, CCNA1, CCND1 ELANE 2133/4885KMT2A 3636/4885ATM 3392/4885

“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.