SCHEMBL2829773

SCHEMBL2829773

CCC(Oc1ccc(C2CCC(c3ccc(OC(CC)C4CO4)c(C)c3)CC2)cc1)C1CO1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.33
DRD2 P14416 1/20 0.33
SSTR4 P31391 1/20 0.32
IDO1 P14902 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL2720634 0.87 DRD2 (0.40) DRD2IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL2827735 0.83 PPARA (0.36)
SCHEMBL2829172 0.81
SCHEMBL2717619 0.75 ALDH1A1 (0.33) MCHR1SSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL2719722 0.73 MAPT (0.35) HIF1A
SCHEMBL2836770 0.73 MAPT (0.35) HIF1A
SCHEMBL11967019 0.72 ALDH1A1 (0.40) HIF1A
SCHEMBL2720805 0.71 ALDH1A1 (0.50) MCHR1SSTR4HIF1A
SCHEMBL16954211 0.70 HIF1A (0.40) SSTR4SLC6A2SLC6A4SLC6A3HIF1A
SCHEMBL6021886 0.70 TDP1 (0.42) HIF1A

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-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed
US-20090054669-A1 Process For Producing Epoxy Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 US disclosed
US-20090018355-A1 Process for Crystallizing an Epoxy Compound SUMITOMO CHEMICAL COMPANY, LTD. 2009-01-15 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 (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-20090018355-A1 Process for Crystallizing an Epoxy Compound PTGER1, NR5A1, TCP1 MCHR1 1198/4885DRD2 942/4885SSTR4 2969/4885
US-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 MCHR1 621/4885DRD2 166/4885SSTR4 3768/4885

“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.