SCHEMBL17576166

SCHEMBL17576166

CCCCCCN(/C=C/C=C(/C#N)C(=O)OCCCC)CCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 2/20 0.37
ZDHHC20 Q5W0Z9 3/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
DNM1 Q05193 2/20 0.34
NPC1 O15118 2/20 0.34
USP2 O75604 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL12758241 0.97 CYP2C9 (0.41) TP53MEN1GAAMAPTKMT2A
SCHEMBL21470241 0.92 MEN1 (0.41) TP53MEN1GAAMAPTKMT2A
SCHEMBL4547569 0.92 TP53 (0.40) TP53MEN1GAAMAPTKMT2A
SCHEMBL12292362 0.91 MAPT (0.49) TP53MEN1GAAMAPTKMT2A
SCHEMBL15761684 0.90 TP53 (0.40) TP53MEN1GAAMAPTKMT2A
SCHEMBL17137894 0.90 CYP2C9 (0.39) TP53MEN1GAAMAPTKMT2A
SCHEMBL12292363 0.90 CYP2C9 (0.39) TP53MEN1GAAMAPTKMT2A
SCHEMBL17137895 0.90 CYP2C9 (0.39) TP53MEN1GAAMAPTKMT2A
SCHEMBL12294063 0.90 CYP2C9 (0.39) TP53MEN1GAAMAPTKMT2A
SCHEMBL12292845 0.90 TP53 (0.41) TP53MEN1GAAMAPTKMT2A

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-20160067160-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME OREAL (FR) 2016-03-10 US disclosed
US-20160067160-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME OREAL (FR) 2016-03-10 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-20160067160-A1 USE OF A 2-METHYLSUCCINIC ACID DIESTER DERIVATIVE AS SOLVENT IN COSMETIC COMPOSITIONS; COSMETIC COMPOSITIONS CONTAINING THE SAME DIMT1, FADS2, SCD TP53 1681/4885MEN1 1276/4885GAA 2598/4885

“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.