SCHEMBL2170323

SCHEMBL2170323

Cc1c(CC(=O)Cl)ccc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
P2RY14 Q15391 1/20 0.47
MAOB P27338 4/20 0.47
ACHE P22303 1/20 0.47
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
MAOA P21397 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
SRD5A2 P31213 2/20 0.46
PTGER3 P43115 1/20 0.45
PTGDR Q13258 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44

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 0.84 AKR1C3 (0.44) KDM4EALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2169163 0.81 TSHR (0.43) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL9840655 0.81 L3MBTL1 (0.49) ALOX5MAOBSRD5A2KDM4EALDH1A1
SCHEMBL2169014 0.81 PTGS1 (0.47) MAOAKDM4EALDH1A1CYP1A2HPGD
SCHEMBL2170286 0.79 ALDH1A1 (0.41) PTGER3PTGDRKDM4EALDH1A1CYP2C9
SCHEMBL2173579 0.78 L3MBTL1 (0.58) MAOBMRGPRX4KDM4EALDH1A1TDP1
SCHEMBL2168667 0.75 AKR1C3 (0.48) KDM4EALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL7808139 0.74 CYSLTR1 (0.56) ALOX5
SCHEMBL27783532 0.73 ALOX5 (0.52) ALOX5P2RY14MAOBACHECASP3
SCHEMBL8380165 0.73 ALOX5 (0.55) ALOX5P2RY14MAOBMRGPRX4SRD5A2

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 ALOX5 2172/4885P2RY14 4654/4885MAOB 390/4885

“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.