SCHEMBL3339233

SCHEMBL3339233

COc1ccc2c(c1)OCCC2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.52
DRD1 P21728 6/20 0.52
DRD5 P21918 6/20 0.52
DRD3 P35462 6/20 0.52
DRD4 P21917 5/20 0.52
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
KCNH2 Q12809 1/20 0.51
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
RIPK1 Q13546 1/20 0.43
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
KDM1A O60341 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
SCHEMBL30534778 1.00 DRD2 (0.52) DRD2DRD1DRD5DRD3DRD4
Hydrochloric Acid SCHEMBL29836377 0.98 KCNH2 (0.53) DRD2DRD1DRD5DRD3DRD4
SCHEMBL31432671 0.95 DRD2 (0.51) DRD2DRD1DRD5DRD3DRD4
SCHEMBL10371800 0.89 DRD2 (0.55) DRD2DRD1DRD5DRD3DRD4
SCHEMBL578280 0.86 KDM4E (0.44) DRD2DRD1DRD5DRD3DRD4
SCHEMBL30563599 0.86 KDM4E (0.44) DRD2DRD1DRD5DRD3DRD4
SCHEMBL22681950 0.82 KCNH2 (0.47) DRD2DRD1DRD5DRD3DRD4
SCHEMBL22681979 0.82 KCNH2 (0.44) DRD2DRD1DRD5DRD3DRD4
SCHEMBL14857587 0.82 CTNNB1 (0.50) KCNH2CTNNB1WNT3A
N-Benzylmethylamine SCHEMBL9464717 0.82 KCNH2 (0.47) DRD2DRD1DRD5DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981260-B1 NOVEL ANALOGUES OF EPICATECHIN AND RELATED POLYPHENOLS SPHAERA PHARMA PRIVATE LTD (IN) 2021-01-13 EP disclosed
US-9561272-B2 Compositions and methods for modulating immune responses THE UNIVERSITY OF QUEENSLAND (AU) 2017-02-07 US disclosed
US-20150216955-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2015-08-06 US disclosed
US-20150202285-A1 COMPOSITIONS AND METHODS FOR MODULATING IMMUNE RESPONSES THE UNIVERSITY OF QUEENSLAND (AU) 2015-07-23 US disclosed
US-9017697-B2 Compositions and methods for modulating immune responses THE UNIVERSITY OF QUEENSLAND (AU) 2015-04-28 US disclosed
US-20100151000-A1 COMPOSITIONS AND METHODS FOR MODULATING IMMUNE RESPONSES THE UNIVERSITY OF QUEENSLAND (AU) 2010-06-17 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-20150216955-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR HLA-DRB1, CD74, CHI3L1 DRD2 4788/4885DRD1 4859/4885DRD5 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.