SCHEMBL10065788

SCHEMBL10065788

C=CC(=O)OCCCOc1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.59
TSHR P16473 5/20 0.56
HPGD P15428 3/20 0.56
HTT P42858 2/20 0.54
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PPARA Q07869 2/20 0.46
NPC1 O15118 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 2/20 0.43
HIF1A Q16665 2/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 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
SCHEMBL12260077 0.97 THRB (0.59) THRBTSHRHPGDHTTALDH1A1
SCHEMBL19757195 0.95 THRB (0.55) THRBTSHRHPGDHTTALDH1A1
SCHEMBL26126205 0.95 TSHR (0.59) THRBTSHRHPGDHTTALDH1A1
SCHEMBL13572565 0.95 TSHR (0.59) THRBTSHRHPGDHTTALDH1A1
SCHEMBL12356583 0.95 TSHR (0.59) THRBTSHRHPGDHTTALDH1A1
SCHEMBL12173361 0.95 TSHR (0.59) THRBTSHRHPGDHTTALDH1A1
SCHEMBL39887 0.92 THRB (0.71) THRBTSHRHPGDHTTALDH1A1
SCHEMBL20414484 0.92 TSHR (0.51) THRBTSHRHPGDHTTALDH1A1
SCHEMBL14195437 0.92 TSHR (0.51) THRBTSHRHPGDHTTALDH1A1
SCHEMBL14588426 0.91 TSHR (0.54) THRBTSHRHPGDHTTALDH1A1

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-20170369783-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC OBJECT SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2017-12-28 US disclosed
EP-3088426-A1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DIC Corporation (JP) 2016-11-02 EP disclosed
US-8252389-B2 Mesogenic dimers MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-08-28 US disclosed
US-8252389-B2 Mesogenic dimers MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-08-28 US disclosed
US-20120026236-A1 INKJET RECORDING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2012-02-02 US disclosed
US-20100222534-A1 Mesogenic Dimers MERCK PATENT GESELLSCHAFT (DE) 2010-09-02 US disclosed
US-20100222534-A1 Mesogenic Dimers MERCK PATENT GESELLSCHAFT (DE) 2010-09-02 US disclosed
WO-2007131336-A1 NEW MATERIALS FOR LITHOGRAPHIC PLATES COATINGS, LITHOGRAPHIC PLATES AND COATINGS CONTAINING SAME, METHODS OF PREPARATION AND USE AMERICAN DYE SOURCE INC. (CA) 2007-11-22 WO 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-20100222534-A1 Mesogenic Dimers PML, MLEC, MTX2 THRB 4780/4885TSHR 4773/4885HPGD 3778/4885
US-20170369783-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC OBJECT VIM, SMCHD1, SMC4 THRB 4851/4885TSHR 4634/4885HPGD 4211/4885

“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.