SCHEMBL4997776

SCHEMBL4997776

SC1=NCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.59
NOS2 P35228 1/20 0.59
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAOA P21397 2/20 0.43
CES1 P23141 1/20 0.41
CYP19A1 P11511 6/20 0.38
CYP11B2 P19099 5/20 0.38
CYP11B1 P15538 4/20 0.38
POLB P06746 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 1/20 0.36
PDPK1 O15530 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35

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
SCHEMBL29385430 0.74 NOS3 (0.59) NOS3NOS2KDM4EALDH1A1MAOA
SCHEMBL31219707 0.74 NOS3 (0.59) NOS3NOS2KDM4EALDH1A1MAOA
SCHEMBL7454314 0.74 NOS3 (1.00) NOS3NOS2KDM4EALDH1A1MAOA
SCHEMBL12937466 0.74 NOS3 (0.59) NOS3NOS2KDM4EALDH1A1MAOA
SCHEMBL30310 0.74 NOS3 (0.59) NOS3NOS2KDM4EALDH1A1MAOA
SCHEMBL12352549 0.74 NOS3 (0.59) NOS3NOS2KDM4EALDH1A1MAOA
SCHEMBL11267501 0.74 NOS3 (0.59) NOS3NOS2KDM4EALDH1A1MAOA
SCHEMBL11488708 0.74 NOS3 (0.59) NOS3NOS2KDM4EALDH1A1MAOA
SCHEMBL13783121 0.74 NOS3 (0.64) NOS3NOS2KDM4EALDH1A1MAOA
SCHEMBL30789182 0.74 NOS3 (1.00) NOS3NOS2KDM4EALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288309-A1 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2014-09-25 US disclosed
US-20080200682-A1 Process of Producing Bleach Boosters BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 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 (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-20080200682-A1 Process of Producing Bleach Boosters SQLE, BCHE, CAT NOS3 1362/4885NOS2 475/4885KDM4E 2632/4885
US-20140288309-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT NOS3 1362/4885NOS2 475/4885KDM4E 2632/4885

“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.