SCHEMBL2825828

SCHEMBL2825828

CC1OC1COCCOc1ccc(C2=CCC(c3ccc(OCCOCC4OC4C)cc3)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.33
HRH2 P25021 3/20 0.33
HRH1 P35367 3/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
NLRP3 Q96P20 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
KCNH2 Q12809 2/20 0.31
RARB P10826 1/20 0.30

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
SCHEMBL2720168 0.90 MCHR1 (0.33)
SCHEMBL2720090 0.84 TSHR (0.36) HRH3HRH2HRH1KCNH2
SCHEMBL11897367 0.83 ALDH1A1 (0.40) RAB9ANPC1CASP3SENP8NLRP3
SCHEMBL2719083 0.83 RAB9A (0.41) HRH3RAB9AKCNH2
SCHEMBL2729993 0.80 MCHR1 (0.32)
SCHEMBL2828904 0.79 HRH3 (0.32) HRH3RAB9ANPC1CASP3SENP8
SCHEMBL2825823 0.79
SCHEMBL2717795 0.78 RARB (0.41) HRH3HRH2HRH1RARB
SCHEMBL2720781 0.78 ESR2 (0.41) HRH3RAB9ANPC1CASP3SENP8
SCHEMBL2829324 0.77 MCHR1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144926-A1 EPOXY RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-10 US disclosed
EP-2133379-A1 EPOXY RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP 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 HRH3 2077/4885HRH2 1935/4885HRH1 1856/4885
US-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 HRH3 19/4885HRH2 40/4885HRH1 44/4885

“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.