SCHEMBL19796652

SCHEMBL19796652

C=C(C)C(=O)OCCOc1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)ccc1OCCO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
TSHR P16473 3/20 0.36
RAB9A P51151 1/20 0.36
CSF1R P07333 1/20 0.35
PPARG P37231 6/20 0.35
PPARA Q07869 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 1/20 0.33
MCHR1 Q99705 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL20171737 0.91 TSHR (0.34) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL19796633 0.91 TSHR (0.34) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL19796651 0.91 FPR2 (0.36) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL19796272 0.91 CYP2C9 (0.41) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL19797015 0.91 CYP3A4 (0.34) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL19796641 0.91 TSHR (0.36) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL20171742 0.91 TSHR (0.36) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL19796566 0.90 CNR2 (0.37) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL19797023 0.90 TSHR (0.35) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL19797123 0.90 CA1 (0.35) PDE4APDE4BPDE4CPDE4DTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 PDE4A 2412/4885PDE4B 2239/4885PDE4C 2053/4885

“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.