SCHEMBL8419861

SCHEMBL8419861

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
BHMT Q93088 1/20 0.41
ACLY P53396 1/20 0.38
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CACNB3 P54284 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA1C Q13936 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
SCHEMBL9200070 0.83 BHMT (0.43) BHMTSLC22A6CYP1A2CACNB3CACNA2D1
SCHEMBL24380113 0.82 ACACB (0.44) ACACBACACAACLYCYP2D6TSHR
SCHEMBL9710087 0.81 ACACB (0.47) ACACBACACAACLYCYP2D6TSHR
SCHEMBL6471049 0.79 ACACB (0.47) ACACBACACABHMTACLY
SCHEMBL9514216 0.79 ACACB (0.46) ACACBACACAACLY
SCHEMBL25436796 0.78 BHMT (0.43) BHMTSLC22A6CYP1A2ALDH1A1CACNB3
SCHEMBL19177 0.78 CYP2D6 (0.36) ACACBACACABHMTACLYCYP2D6
SCHEMBL3977531 0.78 ACACB (0.50) ACACBACACAACLYTSHRCYP1A2
SCHEMBL2718566 0.78 ACACB (0.52) ACACBACACAACLYCYP2D6TSHR
Hydrochloric Acid SCHEMBL8993648 0.77 CYP2D6 (0.34) ACACBACACABHMTACLYCYP2D6

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-20150259311-A1 METHOD OF PRODUCING LACTONE FROM HYDROXYCARBOXYLIC ACID OR DICARBOXYLIC ACID IN AQUEOUS SOLUTION SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-09-17 US claimed
US-20130204015-A1 PROCESS FOR PREPARING A LACTONE RHODIA OPERATIONS (FR) 2013-08-08 US claimed
CN-102834172-A Method for preparing a lactone RHODIA OPERATIONS 2012-12-19 CN 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-20150259311-A1 METHOD OF PRODUCING LACTONE FROM HYDROXYCARBOXYLIC ACID OR DICARBOXYLIC ACID IN AQUEOUS SOLUTION SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-09-17 US disclosed
US-20130204015-A1 PROCESS FOR PREPARING A LACTONE RHODIA OPERATIONS (FR) 2013-08-08 US disclosed
CN-102834172-A Method for preparing a lactone RHODIA OPERATIONS 2012-12-19 CN 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 ACACB 1187/4885ACACA 686/4885BHMT 3493/4885

“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.