SCHEMBL4782034

SCHEMBL4782034

CCCOC(=O)c1ccccc1OC(C)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
PTGS2 P35354 6/20 0.63
KDM4E B2RXH2 4/20 0.59
HSD17B10 Q99714 4/20 0.59
LMNA P02545 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 6/20 0.57
TDP1 Q9NUW8 2/20 0.57
HPGD P15428 2/20 0.57
ESR1 P03372 1/20 0.57
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
HMGB1 P09429 1/20 0.57
GGT1 P19440 1/20 0.57
PTGS1 P23219 1/20 0.57
BLM P54132 1/20 0.57
NAPRT Q6XQN6 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 1/20 0.54

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
SCHEMBL30861110 1.00 ALDH1A1 (0.69) ALDH1A1PTGS2KDM4EHSD17B10LMNA
SCHEMBL11985691 0.92 PTGS2 (0.68) ALDH1A1PTGS2KDM4EHSD17B10LMNA
SCHEMBL1870045 0.91 TSHR (0.71) ALDH1A1PTGS2KDM4EHSD17B10LMNA
SCHEMBL27528077 0.89 TSHR (0.71) ALDH1A1PTGS2KDM4EHSD17B10LMNA
SCHEMBL11985699 0.89 PTGS2 (0.72) ALDH1A1PTGS2KDM4EHSD17B10LMNA
SCHEMBL1282581 0.89 ALDH1A1 (0.71) ALDH1A1PTGS2KDM4EHSD17B10LMNA
SCHEMBL4732320 0.88 ALDH1A1 (0.72) ALDH1A1PTGS2KDM4EHSD17B10LMNA
SCHEMBL11314352 0.88 ALDH1A1 (0.72) ALDH1A1PTGS2KDM4EHSD17B10LMNA
SCHEMBL4730460 0.88 ALDH1A1 (0.72) ALDH1A1PTGS2KDM4EHSD17B10LMNA
SCHEMBL4728781 0.88 ALDH1A1 (0.72) ALDH1A1PTGS2KDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101890167-A Conveniently implantable sustained release drug compositions RAMSCOR INC 2010-11-24 CN disclosed
CN-101060831-B Conveniently implantable sustained release pharmaceutical composition RAMSCOR INC 2010-06-23 CN disclosed
US-20090137532-A1 Aldolase-inhibiting aromatic compounds VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2009-05-28 US disclosed
US-20090137532-A1 Aldolase-inhibiting aromatic compounds VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2009-05-28 US disclosed
US-7470821-B2 Aldolase-inhibiting aromatic compounds VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2008-12-30 US disclosed
US-7470821-B2 Aldolase-inhibiting aromatic compounds VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2008-12-30 US disclosed
EP-1641807-B1 AROMATIC COMPOUNDS AS ALDOLASE INHIBITORS UNIV TOULOUSE (FR) 2008-06-18 EP disclosed
WO-2008043654-A2 BLOND CLEAR TREATMENT HENKEL AG & CO. KGAA (DE) 2008-04-17 WO disclosed
US-20070043002-A1 Aldolase-inhibiting aromatic compounds UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2007-02-22 US disclosed
US-20070043002-A1 Aldolase-inhibiting aromatic compounds UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2007-02-22 US disclosed
CN-1144092-A Non-steroid anti-inflammatory agents capable of releasing nitric oxide, their preparing method and use CAI XIONG (CN) 1997-03-05 CN 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-20070043002-A1 Aldolase-inhibiting aromatic compounds ALDOA, DERA, AKR1B1 ALDH1A1 17/4885PTGS2 2077/4885KDM4E 828/4885
US-20090137532-A1 Aldolase-inhibiting aromatic compounds ALDOA, DERA, AKR1B1 ALDH1A1 17/4885PTGS2 2077/4885KDM4E 828/4885

“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.