SCHEMBL2608192

SCHEMBL2608192

C=CCOCCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
STING1 Q86WV6 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
SCHEMBL19595540 0.96 L3MBTL1 (0.38) L3MBTL1TDP1MEN1POLBKMT2A
SCHEMBL23728627 0.96 L3MBTL1 (0.38) L3MBTL1TDP1MEN1POLBKMT2A
SCHEMBL12092190 0.96 L3MBTL1 (0.38) L3MBTL1TDP1MEN1POLBKMT2A
SCHEMBL2608193 0.88 L3MBTL1 (0.45) L3MBTL1TDP1MEN1POLBKMT2A
SCHEMBL2608204 0.86 L3MBTL1 (0.47) L3MBTL1TDP1MEN1POLBKMT2A
SCHEMBL12092181 0.86 TSHR (0.46) L3MBTL1TDP1TSHRSMN1; SMN2HDAC3
SCHEMBL10292429 0.85 HDAC6 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13528976 0.84 MEN1 (0.37) L3MBTL1TDP1MEN1POLBKMT2A
SCHEMBL21069752 0.84 TDP1 (0.46) L3MBTL1TDP1MEN1POLBKMT2A
SCHEMBL21068995 0.84 ALDH1A1 (0.37) TSHRHDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8454857-B2 Polymerizable liquid crystal compounds, polymerizable liquid crystal compositions, liquid crystalline polymers and optically anisotropic materials ZEON CORPORATION (JP) 2013-06-04 US disclosed
US-8262932-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer and film FUJIFILM CORPORATION (JP) 2012-09-11 US disclosed
US-8262931-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer and film FUJIFILM CORPORATION (JP) 2012-09-11 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-20110233464-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
US-20110237768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
US-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS ZEON CORPORATION (JP) 2011-06-16 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 (3 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-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS CCNB1, CCNT1, CCNB2 L3MBTL1 104/4885TDP1 2657/4885MEN1 876/4885
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 L3MBTL1 248/4885TDP1 3187/4885MEN1 2693/4885
US-20110237768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM SCO2, NR0B2, NR0B1 L3MBTL1 979/4885TDP1 3477/4885MEN1 918/4885

“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.