SCHEMBL4172991

SCHEMBL4172991

CCCCCCCCC(S)C(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.40
KMT2A Q03164 3/20 0.40
HMGCR P04035 2/20 0.40
ATM Q13315 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
XBP1 P17861 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
BLM P54132 2/20 0.38
HIF1A Q16665 2/20 0.38
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3794920 1.00 GAA (0.40) GAAKMT2AHMGCRATMNPSR1
SCHEMBL3923997 0.90 HMGCR (0.40) GAAKMT2AHMGCRATMNPSR1
SCHEMBL2683898 0.85 GAA (0.38) GAAKMT2AHMGCRATMNPSR1
SCHEMBL9674773 0.85 HMGCR (0.40) GAAKMT2AHMGCRATMNPSR1
SCHEMBL937841 0.83 ESR1 (0.49) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5030597 0.83 GAA (0.44) GAAKMT2AHMGCRATMNPSR1
SCHEMBL581163 0.81 HMGCR (0.45) GAAKMT2AHMGCRATMNPSR1
SCHEMBL870709 0.81 HMGCR (0.45) GAAKMT2AHMGCRATMNPSR1
SCHEMBL5030601 0.81 GAA (0.43) GAAKMT2AHMGCRATMNPSR1
SCHEMBL11770360 0.80 ELANE (0.48) GAAKMT2APKMHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090123507-A1 Metal Oxide Nanoparticles Coated With Specific N-Acylaminomethylene Phosphonates CIBA SPECIALTY CHEMICALS CORP. 2009-05-14 US disclosed
US-20060189491-A1 Lubricating oil composition SHELL OIL COMPANY 2006-08-24 US disclosed
EP-1683852-A1 Lubricating oil composition Shell Internationale Research Maatschappij B.V. (NL) 2006-07-26 EP 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-20090123507-A1 Metal Oxide Nanoparticles Coated With Specific N-Acylaminomethylene Phosphonates PHOSPHO1, ACP1, PNN GAA 1074/4885KMT2A 591/4885HMGCR 3467/4885

“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.