SCHEMBL2612006

SCHEMBL2612006

C=COCCCCCCOC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 5/20 0.48
CYP3A4 P08684 3/20 0.48
LMNA P02545 3/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
PTGS2 P35354 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL2612011 0.98 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4LMNAAPOBEC3A
SCHEMBL18784279 0.94 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4LMNAAPOBEC3A
SCHEMBL1128235 0.85
SCHEMBL2688287 0.82 TSHR (0.65) ALDH1A1TSHRCYP3A4HPGDNAAA
SCHEMBL18822941 0.82 TSHR (0.65) ALDH1A1TSHRCYP3A4HPGDNAAA
SCHEMBL18822989 0.82 TSHR (0.65) ALDH1A1TSHRCYP3A4HPGDNAAA
SCHEMBL2689893 0.82 TSHR (0.65) ALDH1A1TSHRCYP3A4HPGDNAAA
SCHEMBL18822943 0.82 TSHR (0.65) ALDH1A1TSHRCYP3A4HPGDNAAA
SCHEMBL8607908 0.82 ALDH1A1 (0.70) ALDH1A1TSHRCYP3A4LMNAAPOBEC3A
SCHEMBL4441760 0.82 ALDH1A1 (0.70) ALDH1A1TSHRCYP3A4LMNAAPOBEC3A

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-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-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-20110237768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM FUJIFILM CORPORATION (JP) 2011-09-29 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 ALDH1A1 2720/4885TSHR 4760/4885CYP3A4 2218/4885
US-20110237768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM SCO2, NR0B2, NR0B1 ALDH1A1 4245/4885TSHR 2025/4885CYP3A4 2502/4885

“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.