SCHEMBL2604672

SCHEMBL2604672

C=C(C)C(=O)Oc1ccc2c(c1)C(CC)c1cc(OC(=O)C(=C)C)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP1A1 P04798 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ACHE P22303 3/20 0.32
USP2 O75604 1/20 0.32
BACE1 P56817 1/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL2125191 0.83 ELANE (0.46) ELANEKMT2AATMPOLBAPEX1
SCHEMBL2604673 0.81 THRB (0.49) ESR1ESR2ACHETSHR
SCHEMBL15329303 0.76 ELANE (0.51) ELANEKMT2AATMPOLBAPEX1
SCHEMBL15338965 0.75 BACE1 (0.49) ELANEKMT2AATMPOLBMAPT
SCHEMBL15834709 0.74 ELANE (0.50) ELANEKMT2AATMTDP1MAPT
SCHEMBL2604688 0.74 ELANE (0.39) ELANEKMT2AATMPOLBAPEX1
SCHEMBL21101841 0.74 ELANE (0.50) ELANEKMT2AATMMAPTBACE1
SCHEMBL20807121 0.74 BACE1 (0.47) ELANEKMT2AATMMAPTCYP1A1
SCHEMBL15338985 0.74 BACE1 (0.47) ELANEKMT2AATMMAPTBACE1
SCHEMBL19188087 0.74 ELANE (0.46) ELANEKMT2AATMMAPTCYP1A1

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-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 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-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT KLK3, PDE7A, FZD7 ELANE 2411/4885KMT2A 3313/4885ATM 737/4885

“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.