SCHEMBL21078393

SCHEMBL21078393

CCCCCCCCC(C)(CCCCCC)Cc1ccc2c(c1)Sc1ccccc1N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 11/20 0.45
GAA P10253 6/20 0.45
MAPT P10636 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SNCA P37840 4/20 0.44
ALOX15 P16050 3/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL223661 0.85 NOX1 (0.50) NOX1GAAMAPTMEN1KMT2A
SCHEMBL8156091 0.85 NOX1 (0.50) NOX1GAAMAPTMEN1KMT2A
SCHEMBL8150371 0.85 NOX1 (0.50) NOX1GAAMAPTMEN1KMT2A
SCHEMBL8147738 0.82 NOX1 (0.53) NOX1GAAMAPTMEN1KMT2A
SCHEMBL25061432 0.82 NOX1 (0.53) NOX1GAAMAPTMEN1KMT2A
SCHEMBL18364941 0.82 NOX1 (0.48) NOX1GAAMAPTMEN1KMT2A
SCHEMBL17284846 0.79 NOX1 (0.57) NOX1GAAMAPTMEN1KMT2A
Phenothiazine SCHEMBL28781231 0.78 NOX1 (0.71) NOX1GAAMAPTMEN1KMT2A
SCHEMBL8142919 0.77 PTGS2 (0.46) LMNASNCAACHECYP3A4ADORA3
SCHEMBL240209 0.77 NOX1 (0.59) NOX1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169519-A1 MULTIFUNCTIONAL LUBRICATING OIL BASE STOCKS AND PROCESSES FOR PREPARING SAME EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2019-06-06 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-20190169519-A1 MULTIFUNCTIONAL LUBRICATING OIL BASE STOCKS AND PROCESSES FOR PREPARING SAME DEGS1, SAMM50, F12 NOX1 524/4885GAA 4540/4885MAPT 3565/4885

“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.