SCHEMBL4564975

SCHEMBL4564975

OCCCCCc1c[nH]nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAOA P21397 1/20 0.32
TBXA2R P21731 1/20 0.32
MAPK1 P28482 1/20 0.32
AVPR2 P30518 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2B P41595 1/20 0.32
HTT P42858 1/20 0.32
PDE3A Q14432 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SLC29A1 Q99808 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL9082275 0.98 CYP4F2 (0.32) CYP4F2CYP4A11DAO
SCHEMBL2005497 0.92
SCHEMBL28396262 0.89 L3MBTL1 (0.34)
Methylamine SCHEMBL28311613 0.86 KDM4E (0.32)
SCHEMBL5603669 0.80 KCNH2 (0.47) LMNACYP3A4
SCHEMBL3823108 0.80 CA12 (0.31) CA2
SCHEMBL28690250 0.80 HRH1 (0.43) MAOA
SCHEMBL3021563 0.80
SCHEMBL16196855 0.80 KCNH2 (0.47) LMNACYP3A4
SCHEMBL28696596 0.80 HRH1 (0.43) MAOA

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-20090297454-A1 Perfluoroalkyl-Containing Complexes, Process For Their Production As Well As Their Use SCHIRMER HEIKO 2009-12-03 US disclosed
US-7618957-B2 1-N-(Benzyloxycarbonyl)-1H,1H,2H,2H,4H,4H,5H,5H-3-aza-perfluorotridecylamine; used in NMR and x-ray diagnosis, radiodiagnosis, and radiotherapy, as well as in MRT lymphography and in blood-pool imaging BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-17 US disclosed
US-20070189969-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-08-16 US disclosed
US-20070020183-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 US disclosed
CN-1191072-A Lawn growth regulator WANG XIANFA (CN) 1998-08-26 CN 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 (3 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-20070020183-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use AFF1, FRG1, AFF2 LMNA 2326/4885PGR 143/4885CYP3A4 1059/4885
US-20070189969-A1 Perfluoroalkyl-containing complexes, process for their production as well as their use AFF1, FGB, PF4 LMNA 2071/4885PGR 145/4885CYP3A4 961/4885
US-20090297454-A1 Perfluoroalkyl-Containing Complexes, Process For Their Production As Well As Their Use AFF1, FGB, PF4 LMNA 2071/4885PGR 145/4885CYP3A4 961/4885

“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.