SCHEMBL2168667

SCHEMBL2168667

CCOc1ccc2c(C)c(CC(=O)O)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
MCL1 Q07820 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS1 P23219 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SQSTM1 Q13501 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PTPN7 P35236 1/20 0.41
MTNR1A P48039 3/20 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
SCHEMBL2169394 0.88 AKR1C3 (0.44) AKR1C3AKR1C2KDM4EALDH1A1HPGD
SCHEMBL11479123 0.86 ALDH1A1 (0.44) AKR1C3AKR1C2KDM4EALDH1A1HPGD
SCHEMBL453836 0.86 AKR1C2 (0.59) AKR1C3AKR1C2KDM4EALDH1A1HPGD
SCHEMBL11468637 0.79 MPL (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL7801636 0.78 MPL (0.47) ALDH1A1HPGDSMN1; SMN2TSHRMAPT
SCHEMBL7808139 0.78 CYSLTR1 (0.56)
SCHEMBL2169163 0.77 TSHR (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL11070050 0.77 HSD17B10 (0.50) AKR1C3AKR1C2KDM4EALDH1A1HPGD
SCHEMBL21437911 0.77 POLB (0.51) AKR1C3AKR1C2KDM4EALDH1A1HPGD
SCHEMBL2169159 0.76 AKR1C3 (0.71) AKR1C3AKR1C2ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8709819-B2 Preparation and its use of derivatization reagent for detecting L-carnitine or D-carnitine GU SHUHUA (CN) 2014-04-29 US disclosed
EP-2348315-B1 PREPARATION AND ITS USE OF DERIVATISATION REAGENT FOR DETECTING L-CARNITINE OR D-CARNITINE CHANGZHOU MULTIPLE DIMENSION INST OF INDUSTRY TECHNOLOGY CO LTD (CN) 2013-12-18 EP disclosed
US-20110281293-A1 PREPARATION AND ITS USE OF DERIVATIZATION REAGENT FOR DETECTING L-CARNITINE OR D-CARNITINE GU SHUHUA (CN) 2011-11-17 US disclosed
EP-2348315-A1 PREPARATION AND ITS USE OF DERIVATISATION REAGENT FOR DETECTING L-CARNITINE OR D-CARNITINE Changzhou Multiple Dimension Institute Of Industry Technology Co., Ltd. (CN) 2011-07-27 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-20110281293-A1 PREPARATION AND ITS USE OF DERIVATIZATION REAGENT FOR DETECTING L-CARNITINE OR D-CARNITINE CRAT, CPT1B, SLC25A20 AKR1C3 1211/4885AKR1C2 876/4885KDM4E 1462/4885

“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.