SCHEMBL2604690

SCHEMBL2604690

C=C(C)C(=O)OCc1ccc2c(c1)C(C)(C)c1cc(COC(=O)C(=C)C)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
PDK2 Q15119 4/20 0.35
TSHR P16473 3/20 0.34
CA2 P00918 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.33
CA1 P00915 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 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
SCHEMBL2602546 0.86 ALDH1A1 (0.33) PDK2TSHRALDH1A1THRBMAPK1
SCHEMBL13412004 0.83 PDK2 (0.40) PDK2TSHRCA2ALDH1A1POLB
SCHEMBL12296292 0.83 KDM4E (0.31) TSHRALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL24394422 0.81 PDK2 (0.36) PDK2ALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL16657435 0.81 KMT2A (0.39) ALDH1A1TDP1KMT2AMAPT
SCHEMBL15338934 0.80 CYP3A4 (0.42) CYP3A4TSHRCA2ALDH1A1POLB
SCHEMBL11986042 0.79 CYP4Z1 (0.33) PDK2CA2ALDH1A1POLBAPEX1
SCHEMBL16657436 0.79 KMT2A (0.40) CA2ALDH1A1CA1MEN1KMT2A
SCHEMBL254038 0.79 ALDH1A1 (0.50) CYP3A4TSHRALDH1A1POLBAPEX1
SCHEMBL13076022 0.79 POLB (0.38) CYP3A4PDK2TSHRCA2POLB

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 CYP3A4 3366/4885PDK2 553/4885TSHR 4831/4885

“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.