SCHEMBL17754256

SCHEMBL17754256

O=C(O)/C=C/c1ccc(OC2CCCCO2)c(OC2CCCCO2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.49
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
SNCA P37840 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
PKM P14618 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 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
SCHEMBL9013036 0.93 KDM4E (0.60) PDE4BKDM4EALDH1A1HPGDALOX15
SCHEMBL30531894 0.93 KDM4E (0.60) PDE4BKDM4EALDH1A1HPGDALOX15
SCHEMBL24367560 0.93 KDM4E (0.60) PDE4BKDM4EALDH1A1HPGDALOX15
SCHEMBL30384030 0.84 PDE4B (0.45) PDE4BKDM4EALDH1A1HPGDALOX15
SCHEMBL9177025 0.84 PTPN1 (0.50) PDE4BKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16265271 0.84 PTPN1 (0.50) PDE4BKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25195154 0.84 PDE4B (0.45) PDE4BKDM4EALDH1A1HPGDALOX15
SCHEMBL26669477 0.83 NFE2L2 (0.62) PDE4BKDM4EALDH1A1HPGDALOX15
SCHEMBL29503029 0.83 NFE2L2 (0.62) PDE4BKDM4EALDH1A1HPGDALOX15
SCHEMBL5625016 0.83 THRB (0.48) KDM4EALDH1A1MAPK1SMN1; SMN2CA12

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 2 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
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 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 PDE4B 1142/4885KDM4E 1415/4885ALDH1A1 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.