SCHEMBL2995885

SCHEMBL2995885

C[N+](C)(C)CC(CC(=O)O)OCc1ccccc1.F[B-](F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP12 P39900 2/20 0.41
CYP1A2 P05177 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP1 P29466 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 4/20 0.38
GMNN O75496 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HSP90AA1 P07900 2/20 0.38
BLM P54132 2/20 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
SCHEMBL28314908 0.94 LMNA (0.49) LMNASMN1; SMN2MMP12CYP1A2MEN1
SCHEMBL9574228 0.89 LMNA (0.42) LMNASMN1; SMN2MMP12CYP1A2MEN1
SCHEMBL2201976 0.83 MEN1 (0.50) CYP1A2MEN1KMT2ASLC1A3SLC1A2
SCHEMBL9634318 0.83 MEN1 (0.50) CYP1A2MEN1KMT2ASLC1A3SLC1A2
SCHEMBL10382406 0.80 KMT2A (0.51) SMN1; SMN2MMP12CYP1A2MEN1KMT2A
SCHEMBL17303194 0.78 MEN1 (0.46) CYP1A2MEN1KMT2ASLC1A3SLC1A2
Perchlorate SCHEMBL9634002 0.78 MEN1 (0.46) CYP1A2MEN1KMT2ASLC1A3SLC1A2
Perchlorate SCHEMBL9633990 0.78 MEN1 (0.46) CYP1A2MEN1KMT2ASLC1A3SLC1A2
SCHEMBL872393 0.77 ALDH1A1 (0.38) CYP1A2MEN1KMT2ASLC1A3SLC1A2
SCHEMBL12136516 0.77 SLC1A3 (0.46) SMN1; SMN2MMP12CYP1A2MEN1KMT2A

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-7777071-B2 Production of carnitine conjugate intermediates SSV THERAPEUTICS, INC. (US) 2010-08-17 US disclosed
US-20090012160-A1 Carnitine Conjugates As Dual Prodrugs, Methods Of Production And Uses Thereof SSV THERAPEUTICS, INC. 2009-01-08 US disclosed
WO-2008018877-A1 CARNITINE CONJUGATES AS DUAL PRODRUGS, METHODS OF PRODUCTION AND USES THEREOF SSV THERAPEUTICS, INC. (US) 2008-02-14 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-20090012160-A1 Carnitine Conjugates As Dual Prodrugs, Methods Of Production And Uses Thereof CPT1B, CRAT, CPT2 LMNA 1078/4885SMN1; SMN2 628/4885MMP12 2860/4885

“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.