SCHEMBL8419397

SCHEMBL8419397

CC(CCC(C)C(=O)O)CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
GABRR1 P24046 2/20 0.52
ACE2 Q9BYF1 1/20 0.52
BHMT Q93088 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.42
LTA4H P09960 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FOLH1 Q04609 1/20 0.39

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
SCHEMBL16613170 0.98 CYP1A2 (0.56) CYP1A2GABRR1ACE2BHMTBLM
SCHEMBL9974590 0.89 BHMT (0.52) CYP1A2BHMTTDP1SMN1; SMN2FOLH1
SCHEMBL14360231 0.89 BLM (0.67) CYP1A2GABRR1ACE2BHMTBLM
SCHEMBL14360716 0.89 BLM (0.61) CYP1A2GABRR1ACE2BHMTBLM
SCHEMBL14360699 0.87 ACE2 (0.60) CYP1A2GABRR1ACE2BHMTBLM
SCHEMBL28564486 0.87 ACE2 (0.60) CYP1A2GABRR1ACE2BHMTBLM
SCHEMBL29061934 0.84 CYP1A2 (0.78) CYP1A2GABRR1ACE2BHMTBLM
SCHEMBL15062351 0.82 BHMT (0.47) CYP1A2BHMTBLMTDP1
SCHEMBL5139179 0.81 GABRR1 (0.72) CYP1A2GABRR1ACE2BLMTDP1
SCHEMBL15049822 0.81 ACE2 (0.48) CYP1A2GABRR1ACE2BHMTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130204015-A1 PROCESS FOR PREPARING A LACTONE RHODIA OPERATIONS (FR) 2013-08-08 US claimed
US-5856581-A DECARBOXYLATING/CYCLIZING A DICARBOXYLIC ACID, IN LIQUID PHASE, IN THE PRESENCE OF A CATALYTICALLY EFFECTIVE AMOUNT OF A METAL OR COMPOUND COMPOUND THEREOF SELECTED FROM AMONG BORON, ALUMINUM, GALLIUM, INDIUM, THALLIUM, TIN, ANTIMONY, RHONE-POULENC CHIMIE (FR) 1999-01-05 US claimed
EP-0626364-B1 Process for the preparation of a cyclic ketone RHONE POULENC CHIMIE (FR) 1998-04-08 EP claimed
EP-0626363-B1 Process for the préparation of a cyclic ketone RHONE POULENC CHIMIE (FR) 1998-03-04 EP claimed
US-5600013-A CATALYTIC CARBOXYLATION AND CYCLIZATION OF DICARBOXYLIC ACIDS RHONE-POULENC CHIMIE (FR) 1997-02-04 US claimed
US-9340691-B2 Hot melt ink composition comprising a copolyester and process for preparing a copolyester OCE-TECHNOLOGIES B.V. (NL) 2016-05-17 US disclosed
EP-2596960-B1 Reusable print medium and method of manufacturing thereof OCE TECH BV (NL) 2016-04-20 EP disclosed
US-8809432-B2 Reusable print medium and method of manufacturing thereof OCE TECHNOLOGIES B.V. (NL) 2014-08-19 US disclosed
EP-2726564-A2 HOT MELT INK COMPOSITION COMPRISING A COPOLYESTER AND PROCESS FOR PREPARING A COPOLYESTER OCE-Technologies B.V. (NL) 2014-05-07 EP disclosed
US-20140114013-A1 HOT MELT INK COMPOSITION COMPRISING A COPOLYESTER AND PROCESS FOR PREPARING A COPOLYESTER OCE-TECHNOLOGIES B.V. (NL) 2014-04-24 US disclosed
US-20130204015-A1 PROCESS FOR PREPARING A LACTONE RHODIA OPERATIONS (FR) 2013-08-08 US disclosed
US-20130137805-A1 REUSABLE PRINT MEDIUM AND METHOD OF MANUFACTURING THEREOF OCE TECHNOLOGIES B.V. (NL) 2013-05-30 US disclosed
EP-2596960-A2 Reusable print medium and method of manufacturing thereof Océ-Technologies B.V. (NL) 2013-05-29 EP disclosed
WO-2013000761-A2 HOT MELT INK COMPOSITION COMPRISING A COPOLYESTER AND PROCESS FOR PREPARING A COPOLYESTER OCE-TECHNOLOGIES B.V. (NL) 2013-01-03 WO disclosed
US-5856581-A DECARBOXYLATING/CYCLIZING A DICARBOXYLIC ACID, IN LIQUID PHASE, IN THE PRESENCE OF A CATALYTICALLY EFFECTIVE AMOUNT OF A METAL OR COMPOUND COMPOUND THEREOF SELECTED FROM AMONG BORON, ALUMINUM, GALLIUM, INDIUM, THALLIUM, TIN, ANTIMONY, RHONE-POULENC CHIMIE (FR) 1999-01-05 US disclosed
US-5600013-A CATALYTIC CARBOXYLATION AND CYCLIZATION OF DICARBOXYLIC ACIDS RHONE-POULENC CHIMIE (FR) 1997-02-04 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 (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-20130204015-A1 PROCESS FOR PREPARING A LACTONE HSD17B7, HSD17B3, RPS3 CYP1A2 744/4885GABRR1 753/4885ACE2 4081/4885

“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.