SCHEMBL11905968

SCHEMBL11905968

CCCOc1cccnc1[O]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.47
▸ PDE5A O76074 3/20 0.46
▸ PDE4A P27815 2/20 0.46
▸ PDE4B Q07343 2/20 0.46
▸ PDE4C Q08493 2/20 0.46
▸ PDE4D Q08499 2/20 0.46
▸ MCHR1 Q99705 1/20 0.42
▸ CYP2A6 P11509 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HCRTR1 O43613 2/20 0.39
▸ HCRTR2 O43614 2/20 0.39
▸ TLR8 Q9NR97 1/20 0.39

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
SCHEMBL11905535 0.91 CYP2C9 (0.50) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11905914 0.89 PDE5A (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11905376 0.87 LMNA (0.50) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11905500 0.87 LMNA (0.50) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11905595 0.87 LMNA (0.50) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11905898 0.87 LMNA (0.50) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11906167 0.87 LMNA (0.50) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11905305 0.87 LMNA (0.50) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11905880 0.84 GRM5 (0.49) GRM5PDE5AMAPTHPGDSMN1; SMN2
SCHEMBL6655861 0.78 CHRNB2 (0.51) GRM5PDE5APDE4APDE4BPDE4C

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 GRM5 475/4885PDE5A 4781/4885PDE4A 4883/4885

“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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