SCHEMBL2608353

SCHEMBL2608353

CCCOCCOC(=O)c1cc(C=O)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 6/20 0.44
APP P05067 2/20 0.43
PTGS2 P35354 2/20 0.42
TDP1 Q9NUW8 3/20 0.41
SERPINE1 P05121 2/20 0.41
TRIM24 O15164 1/20 0.41
HPGD P15428 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL2612584 0.92 L3MBTL1 (0.53) L3MBTL1CA12CA1CA2CA7
SCHEMBL16229590 0.89 L3MBTL1 (0.41) L3MBTL1CA12CA1CA2CA7
SCHEMBL2608364 0.86 TSHR (0.54) L3MBTL1CA12CA1CA2CA7
SCHEMBL2608355 0.83 CA12 (0.46) L3MBTL1CA12CA1CA2CA7
SCHEMBL12590244 0.83 PTGS2 (0.48) L3MBTL1CA12CA1CA2CA7
SCHEMBL4755004 0.83 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL12557388 0.82 CA12 (0.42) L3MBTL1CA12CA1CA2CA7
SCHEMBL12557391 0.81 L3MBTL1 (0.41) L3MBTL1CA12CA1CA2CA7
SCHEMBL12590241 0.81 L3MBTL1 (0.39) L3MBTL1CA12CA1CA2CA7
SCHEMBL12557372 0.81 L3MBTL1 (0.39) L3MBTL1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883271-B2 Polymerizable chiral compound, polymerizable liquid crystal compound, liquid crystal polymer and optically anisotropic body ZEON CORPORATION (JP) 2014-11-11 US disclosed
US-20130023637-A1 POLYMERIZABLE CHIRAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL POLYMER AND OPTICALLY ANISOTROPIC BODY ZEON CORPORATION (JP) 2013-01-24 US disclosed
US-8158021-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, liquid crystalline polymer, and optical anisotropic article ZEON CORPORATION (JP) 2012-04-17 US disclosed
US-8158021-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, liquid crystalline polymer, and optical anisotropic article ZEON CORPORATION (JP) 2012-04-17 US disclosed
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE ZEON CORPORATION (JP) 2010-10-14 US disclosed
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE ZEON CORPORATION (JP) 2010-10-14 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-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 L3MBTL1 248/4885CA12 66/4885CA1 75/4885
US-20130023637-A1 POLYMERIZABLE CHIRAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL POLYMER AND OPTICALLY ANISOTROPIC BODY PYM1, ZYX, YBX1 L3MBTL1 354/4885CA12 293/4885CA1 286/4885

“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.