SCHEMBL9985708

SCHEMBL9985708

CCCCCC(O)CO.OCCCCCCCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
ALDH1A1 P00352 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.55
PSMD14 O00487 2/20 0.52
PLA2G1B P04054 2/20 0.52
MMP2 P08253 2/20 0.52
ATG4B Q9Y4P1 2/20 0.52
HSP90AA1 P07900 1/20 0.52
RAD52 P43351 1/20 0.52
GPR84 Q9NQS5 4/20 0.50
CYP2D6 P10635 2/20 0.50
SPHK1 Q9NYA1 1/20 0.50
GMNN O75496 1/20 0.50
POLB P06746 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50

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
1-Hexanol SCHEMBL28848736 1.00 LMNA (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL29179727 1.00 LMNA (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL721298 1.00 LMNA (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL29054513 1.00 LMNA (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1056652 1.00 LMNA (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A
1,4-Butanediol SCHEMBL11156415 1.00 LMNA (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7454272 1.00 LMNA (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5586540 1.00 LMNA (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4779229 1.00 LMNA (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A
1,5-Pentanediol SCHEMBL27690083 1.00 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697834-B2 Polyalkylenepolyamines by homogeneously catalyzed alcohol amination BASF SE (DE) 2014-04-15 US disclosed
US-20110294977-A1 POLYALKYLENEPOLYAMINES BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION BASF SE (DE) 2011-12-01 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-20110294977-A1 POLYALKYLENEPOLYAMINES BY HOMOGENEOUSLY CATALYZED ALCOHOL AMINATION PARG, ADH1C, ADH5 LMNA 2111/4885ALDH1A1 122/4885HSD17B10 1370/4885

“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.