SCHEMBL3545243

SCHEMBL3545243

COCC(=O)CC(=O)CCC(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
LMNA P02545 3/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.40
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HPGD P15428 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
RECQL P46063 1/20 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
SCHEMBL2727988 0.91 TSHR (0.65) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL10481289 0.88 TSHR (0.77) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL16425793 0.83 TSHR (0.40) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL27441211 0.82 ALDH1A1 (0.46) TSHRLMNAKDM4EALDH1A1MGAM
SCHEMBL126506 0.80 MGAM (0.50) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL6560703 0.80 TSHR (0.72) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL25187 0.80 TSHR (0.81) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL10481290 0.80 TSHR (0.81) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL8649705 0.79 ALDH1A1 (0.39) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL9464702 0.77 LMNA (0.59) TSHRLMNAKDM4EALDH1A1HSD17B10

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-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 US disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 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-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 TSHR 220/4885LMNA 3162/4885KDM4E 4637/4885

“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.