SCHEMBL2720484

SCHEMBL2720484

C1=C(c2ccc(OCCCC3CO3)cc2)CCC(c2ccc(OCCCC3CO3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.37
KCNH2 Q12809 6/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
NLRP3 Q96P20 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL2717783 0.96 HRH3 (0.36) HRH3KCNH2CYP3A4CYP2C9HTR1A
SCHEMBL2718103 0.95 HRH3 (0.36) HRH3KCNH2CYP3A4CYP2C9HTR1A
SCHEMBL2718436 0.95 HRH3 (0.36) HRH3KCNH2CYP3A4CYP2C9HTR1A
SCHEMBL2718920 0.95 HRH3 (0.36) HRH3KCNH2CYP3A4CYP2C9HTR1A
SCHEMBL2717430 0.94 HRH3 (0.35) HRH3KCNH2CYP3A4CYP2C9HTR1A
SCHEMBL2717943 0.89 MCHR1 (0.34) HRH3RAB9ANPC1CASP3SENP8
SCHEMBL2721343 0.86 MCHR1 (0.34) HRH3
SCHEMBL2718908 0.86 TDP1 (0.46) HRH3CYP3A4CYP2C9RAB9ANPC1
SCHEMBL2719697 0.85 MCHR1 (0.33) HRH3
SCHEMBL2718665 0.85 MCHR1 (0.33) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1995245-B1 METHOD FOR PRODUCING EPOXY COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-05-02 EP disclosed
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
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
EP-1995245-A1 METHOD FOR PRODUCING EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 EP disclosed
EP-1995244-A1 METHOD FOR CRYSTALLIZATION OF EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 EP 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 2077/4885KCNH2 2482/4885CYP3A4 470/4885
US-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 HRH3 19/4885KCNH2 589/4885CYP3A4 318/4885

“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.