SCHEMBL469520

SCHEMBL469520

COC(=O)Cc1cc(C=O)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.52
ALDH1A1 P00352 8/20 0.51
HPGD P15428 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
TRIM24 O15164 1/20 0.51
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
AOX1 Q06278 1/20 0.47
KDM4E B2RXH2 3/20 0.47
PTGS2 P35354 2/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
MMP9 P14780 2/20 0.44
NFKB1 P19838 2/20 0.44
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
GLA P06280 1/20 0.44
HSP90AB1 P08238 1/20 0.42

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
SCHEMBL12877592 0.80 ALDH1A1 (0.57) EGFRALDH1A1HPGDTDP1KDM4E
SCHEMBL2612207 0.80 EGFR (0.57) EGFRALDH1A1GAAGFERAKR1B1
SCHEMBL3545527 0.80 EGFR (0.75) EGFRALDH1A1HPGDKDM4EGAA
SCHEMBL30605142 0.80 EGFR (0.75) EGFRALDH1A1HPGDKDM4EGAA
SCHEMBL12646581 0.78 EGFR (0.56) EGFRALDH1A1HPGDTDP1KDM4E
SCHEMBL8145260 0.78 ALDH1A1 (0.68) EGFRALDH1A1HPGDTDP1KDM4E
SCHEMBL27862938 0.78 ALDH1A1 (0.56) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL10421373 0.77 ALDH1A1 (0.47) EGFRALDH1A1HPGDTDP1TRIM24
SCHEMBL5607630 0.77 PTGS2 (0.59) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL29954180 0.77 PTGS2 (0.59) ALDH1A1HPGDTDP1TRIM24ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012032546-A2 PROCESS FOR THE PREPARATION OF SALMETEROL AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2012-03-15 WO disclosed
US-20110186777-A1 POLYMERIZABLE CHIRAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL POLYMER AND OPTICALLY ANISOTROPIC BODY ZEON CORPORATION (JP) 2011-08-04 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
EP-2143710-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICALLY ANISOTROPIC MATERIAL ZEON CORPORATION (JP) 2010-01-13 EP 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 (4 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-20110186777-A1 POLYMERIZABLE CHIRAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL POLYMER AND OPTICALLY ANISOTROPIC BODY PYM1, H1-0, H1-4 EGFR 3552/4885ALDH1A1 2744/4885HPGD 4741/4885
US-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS CCNB1, CCNT1, CCNB2 EGFR 2543/4885ALDH1A1 1445/4885HPGD 4583/4885
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 EGFR 3004/4885ALDH1A1 2720/4885HPGD 4657/4885
US-20130023637-A1 POLYMERIZABLE CHIRAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL POLYMER AND OPTICALLY ANISOTROPIC BODY PYM1, ZYX, YBX1 EGFR 2598/4885ALDH1A1 3900/4885HPGD 4590/4885

“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.