SCHEMBL11905965

SCHEMBL11905965

CC(C)COc1cccnc1[O]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ TLR8 Q9NR97 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HTR2C P28335 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GCGR P47871 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTGER1 P34995 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ POLB P06746 2/20 0.36

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
SCHEMBL2608868 0.79 PDE5A (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11905880 0.79 GRM5 (0.49) PDE5AALDH1A1MAPTHTTL3MBTL1
SCHEMBL2608834 0.78 PDE5A (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL2608831 0.78 CHRNB2 (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10643589 0.78 LTA4H (0.54) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11906133 0.77 MEN1 (0.46) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL11905968 0.76 GRM5 (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4334443 0.75 ALDH1A1 (0.55) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1100806 0.75 MEN1 (0.60) ALDH1A1GAANPC1RAB9AKDM4E
SCHEMBL162690 0.75 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AKDM4EMAPT

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
EP-2492276-B1 METAL COMPLEX, POLYMER, AND ELEMENT OBTAINED USING SAME SUMITOMO CHEMICAL CO (JP) 2014-10-08 — — EP disclosed
US-20140183414-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-03 — — US disclosed
EP-2492276-A1 METAL COMPLEX, POLYMER, AND ELEMENT OBTAINED USING SAME Sumitomo Chemical Company, Limited (JP) 2012-08-29 — — EP disclosed
US-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 — — 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-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME HDAC10, EMG1, PRMT1 PDE5A 4781/4885PDE4A 4883/4885PDE4B 4880/4885

“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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