SCHEMBL18154032

SCHEMBL18154032

c1ccc2c(CCCCCCc3nccc4ccccc34)nccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.48
CYP2A6 P11509 1/20 0.48
F12 P00748 1/20 0.48
NCF1 P14598 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
BACE1 P56817 1/20 0.48
ACHE P22303 1/20 0.47
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 3/20 0.42
PLG P00747 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
CYP3A4 P08684 3/20 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
Hydrochloric Acid SCHEMBL11152119 0.98 PLAU (0.47) PLAUCYP2A6F12NCF1NOS3
Bromide SCHEMBL18154039 0.98 PLAU (0.47) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3250398 0.98 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3248709 0.94 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL29986248 0.94 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL31122674 0.92 PLAU (0.48) PLAUCYP2A6F12NCF1NOS3
SCHEMBL6114275 0.91 CYP2A6 (0.46) PLAUCYP2A6F12NCF1NOS3
SCHEMBL4764703 0.91 CYP2A6 (0.46) PLAUCYP2A6F12NCF1NOS3
SCHEMBL4060780 0.91 CYP2A6 (0.46) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3905155 0.91 CYP2A6 (0.46) PLAUCYP2A6F12NCF1NOS3

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-20180135187-A1 Corrosion Inhibition SCHLUMBERGER TECHNOLOGY CORPORATION 2018-05-17 US disclosed
WO-2016167837-A1 CORROSION INHIBITION SCHLUMBERGER CANADA LIMITED (CA) 2016-10-20 WO 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-20180135187-A1 Corrosion Inhibition SOD1, AOC1, NOX1 PLAU 1291/4885CYP2A6 3051/4885F12 11/4885

“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.