SCHEMBL5523664

SCHEMBL5523664

CCC1(C(CC)(C(=O)O)C(=O)O)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
CYP2C19 P33261 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL28449621 0.67 ADORA3 (0.30) ADORA3
SCHEMBL28540604 0.66
SCHEMBL23382050 0.65 CYP2C19 (0.33) ADORA3CYP2C19USP2ALDH1A1LMNA
SCHEMBL11857278 0.64
SCHEMBL18897783 0.64
SCHEMBL4954116 0.64
SCHEMBL18811618 0.64
SCHEMBL28985462 0.64 USP2 (0.42) ADORA3CYP2C19USP2ALDH1A1LMNA
SCHEMBL18483088 0.64 TSHR (0.38) CYP2C19ALDH1A1TSHR
Bicarbonate SCHEMBL14990798 0.63 CYP2C19 (0.38) ADORA3CYP2C19USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912617-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2003-04-16 EP claimed
US-6313238-B1 POLYMERIZATION OF ALPHA-OLEFINS IN PRESENCE OF POLYMERIZATION CATALYST SYSTEM COMPRISING REACTION PRODUCT OF TITANIUM COMPOUND, AND ELECTRON DONOR COMPRISING MALONIC ESTER SUPPORTED ON MAGNESIUM HALIDE, ALKYLALUMINUM COMPOUND BASELL TECHNOLOGY COMPANY BV (NL) 2001-11-06 US claimed
US-6048818-A Components and catalysts for the polymerization of olefins MONTELL TECHNOLOGY COMPANY BV (NL) 2000-04-11 US claimed
EP-0912617-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 1999-05-06 EP claimed
WO-1998056833-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-12-17 WO claimed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
EP-1399146-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARM INC (US) 2006-01-18 EP disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US disclosed
EP-1399146-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-24 EP disclosed
EP-0912617-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2003-04-16 EP disclosed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed
US-6313238-B1 POLYMERIZATION OF ALPHA-OLEFINS IN PRESENCE OF POLYMERIZATION CATALYST SYSTEM COMPRISING REACTION PRODUCT OF TITANIUM COMPOUND, AND ELECTRON DONOR COMPRISING MALONIC ESTER SUPPORTED ON MAGNESIUM HALIDE, ALKYLALUMINUM COMPOUND BASELL TECHNOLOGY COMPANY BV (NL) 2001-11-06 US disclosed
US-6048818-A Components and catalysts for the polymerization of olefins MONTELL TECHNOLOGY COMPANY BV (NL) 2000-04-11 US disclosed
EP-0912617-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 1999-05-06 EP disclosed
WO-1998056833-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-12-17 WO 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE ADORA3 3342/4885CYP2C19 1827/4885USP2 516/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV ADORA3 3996/4885CYP2C19 4667/4885USP2 1070/4885

“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.