SCHEMBL5855843

SCHEMBL5855843

C=CCCCCCCOC(C)(C)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
LPAR3 Q9UBY5 2/20 0.42
LPAR2 Q9HBW0 1/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAPT P10636 3/20 0.39
ABCC4 O15439 1/20 0.39
TSHR P16473 2/20 0.35
CYP3A4 P08684 3/20 0.35
USP2 O75604 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
SLC2A1 P11166 1/20 0.31

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
SCHEMBL5855805 1.00 ALDH1A1 (0.50) ALDH1A1LMNALPAR3LPAR2CYP4F2
SCHEMBL5858394 1.00 ALDH1A1 (0.50) ALDH1A1LMNALPAR3LPAR2CYP4F2
SCHEMBL5857277 1.00 ALDH1A1 (0.50) ALDH1A1LMNALPAR3LPAR2CYP4F2
SCHEMBL21068275 0.82 CYP4F2 (0.60) ALDH1A1LMNALPAR3LPAR2CYP4F2
SCHEMBL3627972 0.81 MAPT (0.42) ALDH1A1LMNALPAR3LPAR2CYP4F2
SCHEMBL5856474 0.77 CYP4F2 (0.42) ALDH1A1LMNACYP4F2CYP4A11TSHR
SCHEMBL5857558 0.77 CYP4F2 (0.42) ALDH1A1LMNACYP4F2CYP4A11TSHR
SCHEMBL5855517 0.77 CYP4F2 (0.42) ALDH1A1LMNACYP4F2CYP4A11TSHR
SCHEMBL5857183 0.77 CYP4F2 (0.42) ALDH1A1LMNACYP4F2CYP4A11TSHR
SCHEMBL13390688 0.77 ALDH1A1 (0.41) ALDH1A1LMNALPAR3LPAR2MAPT

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-7144906-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-12-05 US disclosed
US-7030143-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-18 US disclosed
US-7022723-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-04 US disclosed
EP-1634876-A2 Heterocyclic compounds for the treatment of hyperlipidemia agents Nippon Shinyaku Co., Ltd. (JP) 2006-03-15 EP disclosed
US-6998412-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-02-14 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 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 (4 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-20050009785-A1 Heterocyclic compounds LIPC, GPR119, APOB ALDH1A1 760/4885LMNA 606/4885LPAR3 738/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE ALDH1A1 571/4885LMNA 601/4885LPAR3 957/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC ALDH1A1 557/4885LMNA 636/4885LPAR3 1126/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC ALDH1A1 557/4885LMNA 636/4885LPAR3 1126/4885

“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.