SCHEMBL2170286

SCHEMBL2170286

Cc1c(CC(=O)Cl)ccc2cc(OC(C)C)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 3/20 0.38
KMT2A Q03164 4/20 0.36
ABL1 P00519 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PPM1A P35813 1/20 0.35
TSPO P30536 1/20 0.34
MTNR1A P48039 1/20 0.34
NLRP1 Q9C000 1/20 0.34
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL2169014 0.86 PTGS1 (0.47) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL2169394 0.84 AKR1C3 (0.44) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL2169163 0.82 TSHR (0.43) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL2170323 0.79 ALOX5 (0.50) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL20766785 0.76 POLB (0.45) ALDH1A1POLBKMT2APARP10
SCHEMBL30523689 0.76 POLB (0.45) ALDH1A1POLBKMT2APARP10
SCHEMBL453836 0.73 AKR1C2 (0.59) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL9504259 0.72 KDM4E (0.53) ALDH1A1KDM4EHPGDGAAMTNR1A
SCHEMBL2168667 0.71 AKR1C3 (0.48) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL22325682 0.70 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDPOLBHSD17B10

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 ALDH1A1 288/4885KDM4E 1462/4885HPGD 2102/4885

“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.