SCHEMBL2720630

SCHEMBL2720630

c1cc(C2CCC(c3ccc(OCCCC4CO4)cc3)CC2)ccc1OCCCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.49
▸ KCNH2 Q12809 4/20 0.49
▸ CYP3A4 P08684 4/20 0.49
▸ CYP2C9 P11712 4/20 0.49
▸ HTR1A P08908 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ DRD5 P21918 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ RAB9A P51151 1/20 0.42
▸ S1PR1 P21453 1/20 0.40

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
SCHEMBL2720700 0.95 HRH3 (0.48) HRH3KCNH2CYP3A4CYP2C9HTR1A
SCHEMBL2719849 0.94 HRH3 (0.47) HRH3KCNH2CYP3A4CYP2C9HTR1A
SCHEMBL2721209 0.94 HRH3 (0.47) HRH3KCNH2CYP3A4CYP2C9HTR1A
SCHEMBL2718716 0.94 HRH3 (0.47) HRH3KCNH2CYP3A4CYP2C9HTR1A
SCHEMBL2718476 0.87 MCHR1 (0.41) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL2717431 0.83 MCHR1 (0.41) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL2719716 0.82 TDP1 (0.44) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL2836764 0.82 TDP1 (0.44) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL2720511 0.82 MCHR1 (0.40) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL2720762 0.82 MCHR1 (0.40) HRH3KCNH2CYP3A4CYP2C9RAB9A

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 7 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
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.

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