SCHEMBL5694255

SCHEMBL5694255

C=CC(=O)OCCCCOc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.61
TSHR P16473 5/20 0.58
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 1/20 0.58
HPGD P15428 1/20 0.53
NR5A1 Q13285 1/20 0.50
HTT P42858 1/20 0.49
LTA4H P09960 2/20 0.47
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL27451111 0.98 TSHR (0.61) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL16705700 0.98 TSHR (0.61) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL16705694 0.98 TSHR (0.61) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL8181968 0.98 TSHR (0.61) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL11175669 0.98 TSHR (0.61) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL7664651 0.98 TSHR (0.61) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL11177318 0.97 THRB (0.61) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL14346689 0.95 THRB (0.56) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL8170418 0.94 TSHR (0.56) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL2612498 0.92 THRB (0.73) THRBTSHRALDH1A1CYP3A4HPGD

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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 US disclosed
CN-105051001-A Polymerizable compound and liquid crystal composition using same DAINIPPON INK &AMP 2015-11-11 CN disclosed
US-20070286968-A1 Compound, liquid crystal composition, and their applications FUJIFILM CORPORATION (JP) 2007-12-13 US disclosed
US-20070286968-A1 Compound, liquid crystal composition, and their applications FUJIFILM CORPORATION (JP) 2007-12-13 US disclosed
EP-1342770-B1 Polymerizable liquid crystal compound, liquid crystal polymer and applications thereof FUJI PHOTO FILM CO LTD (JP) 2006-05-31 EP disclosed
EP-1342770-A1 Polymerizable liquid crystal compound, liquid crystal polymer and applications thereof FUJI PHOTO FILM CO., LTD. (JP) 2003-09-10 EP disclosed
EP-0007574-B1 LIQUID-CRYSTALLINE POLYMERIC PHASE WITH A CHOLESTERIC STRUCTURE, METHOD FOR ITS PREPARATION AND ITS USE BASF Aktiengesellschaft (DE) 1983-05-25 EP disclosed
US-4293435-A ACRYLATE POLYMERS BASF AKTIENGESELLSCHAFT (DE) 1981-10-06 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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME RCC1, LPXN, SMC4 THRB 4879/4885TSHR 4832/4885ALDH1A1 3640/4885

“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.