SCHEMBL6402267

SCHEMBL6402267

CCCCC(CCCCC(C)C)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
CYP3A4 P08684 3/20 0.47
CA2 P00918 1/20 0.47
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6399979 0.99 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL6404556 0.99 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL6404702 0.99 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL6406049 0.99 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL6402041 0.99 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL31176228 0.99 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL6406708 0.99 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL2286877 0.99 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL6399687 0.99 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL6402136 0.99 ALDH1A1 (0.70) ALDH1A1CYP3A4CA2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL, CO., LTD. (JP) 2005-02-17 US disclosed
EP-0773241-B1 Solid catalyst component for polymerizing olefins and catalyst for polymerization of olefins TOHO TITANIUM CO LTD (JP) 2001-09-12 EP disclosed
EP-0811639-B1 SOLID CATALYTIC COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO LTD (JP) 2001-08-01 EP disclosed
US-5965478-A A POLYMERIZATION CATALYST IS A REACTION PRODUCT OF A TITANIUM HALIDE, A DIESTER OF AROMATIC DICARBOXYLIC ACID AND A DIALKOXYMAGNESIUM PARTICLES HAVING A HIGH BULK DENSITY; POLYOLEFIN HAVING A HIGH STEREOREGULARITY, HIGH BULK DENSITY TOHO TITANIUM CO., LTD. (JP) 1999-10-12 US disclosed
EP-0665243-B1 Catalyst for polymerization of olefins and process for polymerization of olefins using the same TOHO TITANIUM CO LTD (JP) 1999-07-07 EP disclosed
EP-0811639-A1 SOLID CATALYTIC COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO., LTD. (JP) 1997-12-10 EP disclosed
EP-0773241-A2 Solid catalyst component for polymerizing olefins and catalyst for polymerization of olefins TOHO TITANIUM CO., LTD. (JP) 1997-05-14 EP disclosed
EP-0773240-A2 Solid catalyst component for polymerizing olefins and catalyst for polymerization of olefins TOHO TITANIUM CO., LTD. (JP) 1997-05-14 EP disclosed
US-5547912-A FROM DIALKOXYMAGNESIUM COMPOUND, ALUMINUM COMPOUND, TITANIUM TETRACHLORIDE, AND DIESTER OF AROMATIC DICARBOXYLIC ACID TOHO TITANIUM CO., LTD. (JP) 1996-08-20 US disclosed
US-5498770-A DIALKOXYCYCLOHEXYLCYCLOPENTYLSILANE TOHO TITANIUM CO., LTD. (JP) 1996-03-12 US disclosed
WO-1995029939-A1 ORGANOSILICON COMPOUND, ZIEGLER-NATTA CATALYST CONTAINING THE SAME AND PROCESS FOR POLYMERIZATION OF OLEFINS TOHO TITANIUM CO., LTD. (JP) 1995-11-09 WO disclosed
EP-0665243-A2 Catalyst for polymerization of olefins and process for polymerization of olefins using the same TOHO TITANIUM CO., LTD. (JP) 1995-08-02 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-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester SCO2, PDHX, DECR2 ALDH1A1 3078/4885CYP3A4 575/4885CA2 517/4885

“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.