SCHEMBL3041867

SCHEMBL3041867

CCCCCCCCCCCCCCC(=C=O)CCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.52
CES1 P23141 4/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 5/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50
PDE4A P27815 1/20 0.50
KMT2A Q03164 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
SCHEMBL29822696 1.00 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL31249634 1.00 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL31249635 1.00 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL27734126 1.00 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL10394740 1.00 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL31249638 1.00 CES2 (0.52) CES2CES1GPR84PPARGPPARD
SCHEMBL28750002 0.97 CES2 (0.50) CES2CES1GPR84PPARGPPARD
SCHEMBL1349449 0.92 CES2 (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL11787598 0.90 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL6903403 0.90 CES2 (0.48) CES2CES1GPR84PPARGPPARD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100172967-A1 COMPOUND MODIFIED WITH GLYCEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-07-08 US disclosed
US-7696359-B2 Compound modified with glycerol derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-04-13 US disclosed
US-20060280784-A1 Compound modified with glycerol derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-12-14 US disclosed
EP-1666486-A1 COMPOUND MODIFIED WITH GLYCEROL DERIVATIVE Kyowa Hakko Kogyo Co., Ltd (JP) 2006-06-07 EP disclosed
EP-0285178-B1 Mannobiose derivatives MEITO SANGYO KK (JP) 1997-02-12 EP disclosed
EP-0348942-B1 LIPID MEMBRANE STRUCTURES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-12-09 EP disclosed
US-5141751-A Drug delivery for antitumor agent; mass-reproduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-25 US disclosed
US-4983725-A Liposomes with affinity for liver cells MEITO SANGYO CO., LTD. (JP) 1991-01-08 US disclosed
EP-0348942-A2 Lipid membrane structures DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-01-03 EP disclosed
EP-0285178-A2 Mannobiose derivatives MEITO SANGYO CO., LTD. (JP) 1988-10-05 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 (2 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-20060280784-A1 Compound modified with glycerol derivative MRGPRX1, MRGPRX2, NPC1L1 CES2 1069/4885CES1 1747/4885GPR84 181/4885
US-20100172967-A1 COMPOUND MODIFIED WITH GLYCEROL DERIVATIVE NPC1L1, SGMS1, SCARB1 CES2 917/4885CES1 1630/4885GPR84 220/4885

“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.