SCHEMBL14830449

SCHEMBL14830449

CCCCCCCC(F)(F)CCCCCCO

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HSD17B10 Q99714 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.57
CES2 O00748 3/20 0.47
LPAR1 Q92633 1/20 0.47
LPAR3 Q9UBY5 1/20 0.47
FAAH O00519 7/20 0.40
CES1 P23141 5/20 0.40
CYP1A2 P05177 1/20 0.40
GGPS1 O95749 1/20 0.40
FDPS P14324 2/20 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
SCHEMBL14831463 1.00 LMNA (0.62) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL16845302 1.00 LMNA (0.62) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL23015199 1.00 LMNA (0.62) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL21061177 0.91 LMNA (0.48) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL25848538 0.90 SMN1; SMN2 (0.55) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL16171314 0.87 CES2 (0.50) HSD17B10MEN1KMT2ATSHRCES2
SCHEMBL28301994 0.87 CES2 (0.50) HSD17B10MEN1KMT2ATSHRCES2
SCHEMBL23139281 0.87 CES2 (0.50) HSD17B10MEN1KMT2ATSHRCES2
SCHEMBL17830599 0.86 LMNA (0.62) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28990017 0.84 LMNA (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A

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-20140309275-A1 Sphingosine Analogs, Compositions, and Methods Related Thereto UNIV EMORY (US) 2014-10-16 US disclosed
EP-2760820-A2 SPHINGOSINE ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO Emory University (US) 2014-08-06 EP disclosed
WO-2013049280-A2 SPHINGOSINE ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-04-04 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-20140309275-A1 Sphingosine Analogs, Compositions, and Methods Related Thereto SPHK1, S1PR1, S1PR2 LMNA 1307/4885ALDH1A1 1143/4885HSD17B10 3020/4885

“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.