SCHEMBL19722504

SCHEMBL19722504

C=CC(=O)OCCOc1ccc(C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.49
RAB9A P51151 1/20 0.48
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C9 P11712 2/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
S1PR3 Q99500 1/20 0.41
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
CRBN Q96SW2 1/20 0.38

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
SCHEMBL16425379 0.96 TSHR (0.49) THRBRAB9AHPGDTSHRCYP2C9
SCHEMBL1532966 0.94 TSHR (0.48) THRBRAB9AHPGDTSHRCYP2C9
SCHEMBL1532965 0.94 TSHR (0.48) THRBRAB9AHPGDTSHRCYP2C9
SCHEMBL1533120 0.94 TSHR (0.48) THRBRAB9AHPGDTSHRCYP2C9
SCHEMBL1533123 0.94 TSHR (0.48) THRBRAB9AHPGDTSHRCYP2C9
SCHEMBL12154168 0.92 RAB9A (0.44) THRBRAB9AHPGDTSHRCYP2C9
SCHEMBL17131770 0.92 THRB (0.52) THRBRAB9AHPGDTSHRCYP2C9
SCHEMBL19294803 0.92 RAB9A (0.45) THRBRAB9AHPGDTSHRCYP2C9
SCHEMBL14088483 0.89 RAB9A (0.42) THRBRAB9AHPGDTSHRCYP2C9
SCHEMBL14010374 0.89 RAB9A (0.45) THRBRAB9AHPGDTSHRCYP2C9

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
EP-3257839-B1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-04 EP disclosed
US-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2019-08-27 US disclosed
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2017-12-28 US disclosed
EP-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 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 (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-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element SP1, HVCN1, CXCR1 THRB 4606/4885RAB9A 3751/4885HPGD 4213/4885
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, SPIN1, SAV1 THRB 4233/4885RAB9A 3798/4885HPGD 4273/4885

“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.