SCHEMBL13610577

SCHEMBL13610577

C(=C/c1ccccc1)\COCC1CCC(COC/C=C/c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.76
HTR2A P28223 9/20 0.76
HTR2C P28335 9/20 0.76
HTR2B P41595 9/20 0.76
DRD2 P14416 4/20 0.66
IDO1 P14902 2/20 0.52
DPP4 P27487 1/20 0.47
OPRM1 P35372 1/20 0.46
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL12735882 0.89 SIGMAR1 (0.63) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7307537 0.83 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7307527 0.83 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL467373 0.82 SIGMAR1 (0.97) SIGMAR1HTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL467375 0.82 SIGMAR1 (0.97) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7312333 0.81 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7312324 0.81 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL430934 0.80 IDO1 (0.68) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7514298 0.80 IDO1 (0.68) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL430935 0.80 IDO1 (0.68) SIGMAR1HTR2AHTR2CHTR2BDRD2

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
US-8308892-B2 Di-cinnamyl compounds and methods for use thereof DESIGNER MOLECULES, INC. (US) 2012-11-13 US disclosed
US-8308892-B2 Di-cinnamyl compounds and methods for use thereof DESIGNER MOLECULES, INC. (US) 2012-11-13 US disclosed
US-20090288768-A1 DI-CINNAMYL COMPOUNDS AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. 2009-11-26 US disclosed
US-20090288768-A1 DI-CINNAMYL COMPOUNDS AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. 2009-11-26 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-20090288768-A1 DI-CINNAMYL COMPOUNDS AND METHODS FOR USE THEREOF CAD, DBF4, ACMSD SIGMAR1 4142/4885HTR2A 4135/4885HTR2C 4270/4885

“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.