SCHEMBL2169014

SCHEMBL2169014

COc1ccc2c(C)c(CC(=O)Cl)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
SLC2A1 P11166 1/20 0.43
MTNR1A P48039 3/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43

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
SCHEMBL453836 0.87 AKR1C2 (0.59) PTGS1AKR1C3AKR1C2SLC2A1MTNR1A
SCHEMBL2169394 0.86 AKR1C3 (0.44) AKR1C3AKR1C2MTNR1AKDM4ECYP1A2
SCHEMBL2170286 0.86 ALDH1A1 (0.41) MTNR1AKDM4ENPC1LMNATP53
SCHEMBL9504259 0.86 KDM4E (0.53) PTGS1AKR1C3AKR1C2SLC2A1MTNR1A
SCHEMBL2169163 0.84 TSHR (0.43) MTNR1AKDM4ERAB9ASMN1; SMN2HSD17B10
SCHEMBL17013394 0.82 SLC2A1 (0.46) PTGS1AKR1C3AKR1C2SLC2A1MTNR1A
SCHEMBL2170323 0.81 ALOX5 (0.50) KDM4ECYP1A2NPC1MAOARAB9A
SCHEMBL11377119 0.78 MTNR1A (0.47) SLC2A1MTNR1AMTNR1B
SCHEMBL11294989 0.77 SLC2A1 (0.42) PTGS1AKR1C3AKR1C2SLC2A1MTNR1A
SCHEMBL2171722 0.77 SLC2A1 (0.42) PTGS1AKR1C3AKR1C2SLC2A1MTNR1A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096493-B2 Preparation method of high-purity L-carnitine CHANGZHOU MULTIPLE DIMENSION INSTITUTE OF INDUSTRY TECHNOLOGY CO., LTD. (CN) 2015-08-04 US claimed
US-8709819-B2 Preparation and its use of derivatization reagent for detecting L-carnitine or D-carnitine GU SHUHUA (CN) 2014-04-29 US claimed
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 claimed
EP-2360141-B1 A PREPARATION METHOD OF HIGH-PURITY L-CARNITINE CHANGZHOU MULTIPLE DIMENSION INST OF INDUSTRY TECHNOLOGY CO LTD (CN) 2013-12-11 EP claimed
US-20110281293-A1 PREPARATION AND ITS USE OF DERIVATIZATION REAGENT FOR DETECTING L-CARNITINE OR D-CARNITINE GU SHUHUA (CN) 2011-11-17 US claimed
US-20110263897-A1 PREPARATION METHOD OF HIGH-PURITY L-CARNITINE CHANGZHOU MULTIPLE DIMENSION INSTITUTE OF INDUSTRY TECHNOLOGY CO., LTD. (CN) 2011-10-27 US claimed
EP-2360141-A1 A PREPARATION METHOD OF HIGH-PURITY L-CARNITINE Changzhou Multiple Dimension Institute Of Industry Technology Co., Ltd. (CN) 2011-08-24 EP claimed
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 claimed
US-9096493-B2 Preparation method of high-purity L-carnitine CHANGZHOU MULTIPLE DIMENSION INSTITUTE OF INDUSTRY TECHNOLOGY CO., LTD. (CN) 2015-08-04 US disclosed
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
EP-2360141-B1 A PREPARATION METHOD OF HIGH-PURITY L-CARNITINE CHANGZHOU MULTIPLE DIMENSION INST OF INDUSTRY TECHNOLOGY CO LTD (CN) 2013-12-11 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
US-20110263897-A1 PREPARATION METHOD OF HIGH-PURITY L-CARNITINE CHANGZHOU MULTIPLE DIMENSION INSTITUTE OF INDUSTRY TECHNOLOGY CO., LTD. (CN) 2011-10-27 US disclosed
US-4217352-A ANTIARTHRITIC AGENT MERCK & CO., INC. (US) 1980-08-12 US disclosed
US-4212976-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1980-07-15 US disclosed
US-4144342-A ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 US disclosed
US-4061759-A ANTIINFLAMMATORY, ARTHRITIS MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4057637-A RHEUMATOID ARTHRITIS MERCK & CO., INC. (US) 1977-11-08 US disclosed
US-3971797-A ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 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 (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-20110281293-A1 PREPARATION AND ITS USE OF DERIVATIZATION REAGENT FOR DETECTING L-CARNITINE OR D-CARNITINE CRAT, CPT1B, SLC25A20 PTGS1 4853/4885AKR1C3 1211/4885AKR1C2 876/4885
US-20110263897-A1 PREPARATION METHOD OF HIGH-PURITY L-CARNITINE CPT2, CRAT, CPT1B PTGS1 4593/4885AKR1C3 2619/4885AKR1C2 2625/4885

“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.