SCHEMBL5951659

SCHEMBL5951659

CCCCC(CCC)OB(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.46
CNR2 P34972 2/20 0.38
CTSK P43235 3/20 0.38
LPL P06858 2/20 0.34
LIPG Q9Y5X9 2/20 0.34
MMP1 P03956 3/20 0.34
MMP7 P09237 3/20 0.34
MMP12 P39900 3/20 0.34
MMP13 P45452 3/20 0.34
ACE P12821 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3458150 0.84 ENPP2 (0.36) CTSKLPLLIPGALDH1A1POLB
SCHEMBL5952263 0.77 KDM4E (0.37) CNR2LIPGKDM4E
SCHEMBL7467180 0.75 PCSK9 (0.37) PCSK9CTSKALDH1A1POLBCYP3A4
SCHEMBL3234105 0.75 PCSK9 (0.38) PCSK9KDM4E
SCHEMBL28918401 0.73 CTSK (0.40) CTSKALDH1A1CA2
SCHEMBL5952719 0.70 PCSK9 (0.40) PCSK9KDM4E
SCHEMBL1128562 0.70 PCSK9 (0.58) PCSK9LPLLIPGALDH1A1CYP3A4
SCHEMBL14844285 0.70 LTA4H (0.44) CNR2CTSK
SCHEMBL21599141 0.70 L3MBTL1 (0.34) ALDH1A1CYP3A4
SCHEMBL2653923 0.69 PCSK9 (0.56) PCSK9LPLLIPGALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
US-20050176987-A1 Method for producing vinyl, aryl and heteroaryl acetic acids and derivatives thereof STUDIENGESELLSCHAFT KOHLE MBH (DE) 2005-08-11 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (3 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-20050176987-A1 Method for producing vinyl, aryl and heteroaryl acetic acids and derivatives thereof HDHD5, PAH, AHR PCSK9 4289/4885CNR2 1549/4885CTSK 3853/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A PCSK9 3742/4885CNR2 2769/4885CTSK 1812/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 PCSK9 3869/4885CNR2 2819/4885CTSK 2067/4885

“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.