SCHEMBL381683

SCHEMBL381683

O=c1oc2cc(OP(=O)(O)O)ccc2cc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
KDM4E B2RXH2 3/20 0.65
GLA P06280 2/20 0.65
MIF P14174 3/20 0.60
KLK7 P49862 1/20 0.59
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAOB P27338 1/20 0.56
POLB P06746 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53

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
SCHEMBL12304254 0.81 NPC1 (0.81) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL9149718 0.81 KDM4E (0.63) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4358139 0.81 NPC1 (1.00) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL12304242 0.81 NPC1 (0.74) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2224693 0.80 MAOB (0.70) NPC1RAB9AMEN1KMT2AKDM4E
Phosphoric Acid SCHEMBL18762332 0.80 MIF (0.89) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL14880118 0.79 NPC1 (1.00) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL10432731 0.79 NPC1 (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4532475 0.78 SLC16A3 (0.68) NPC1RAB9AKDM4EGLAALDH1A1
SCHEMBL838477 0.78 HSD17B3 (0.56) MEN1KMT2AKDM4EGLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104380-A1 SYNERGISTIC TRANSPORT OF LIPOPHILIC AND HYDROPHILIC ACTIVE SUBSTANCES IN NANOPARTICLES Karlsruher Institut für Technologie (DE) 2023-06-15 WO claimed
EP-4190312-A1 SYNERGISTIC TRANSPORT OF LIPOPHILIC AND HYDROPHILIC ACTIVE AGENTS INTO NANOPARTICLES Karlsruher Institut für Technologie (DE) 2023-06-07 EP claimed
WO-2023104380-A1 SYNERGISTIC TRANSPORT OF LIPOPHILIC AND HYDROPHILIC ACTIVE SUBSTANCES IN NANOPARTICLES Karlsruher Institut für Technologie (DE) 2023-06-15 WO disclosed
EP-4190312-A1 SYNERGISTIC TRANSPORT OF LIPOPHILIC AND HYDROPHILIC ACTIVE AGENTS INTO NANOPARTICLES Karlsruher Institut für Technologie (DE) 2023-06-07 EP disclosed
US-11150358-B2 Radiation dosimetry sol or gel and radiation dosimeter comprising same as material for radiation dosimetry RIKEN (JP) 2021-10-19 US disclosed
US-20210292353-A1 INORGANIC-ORGANIC HYBRID COMPOUNDS INCLUDING ORGANIC PLATINUM-CONTAINING ANIONS, FOR USE IN MEDICINE MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-09-23 US disclosed
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-01 US disclosed
EP-3829565-A1 INORGANIC-ORGANIC HYBRID COMPOUNDS INCLUDING ORGANIC PLATINUM-CONTAINING ANIONS, FOR USE IN MEDICINE Karlsruher Institut für Technologie (DE) 2021-06-09 EP disclosed
US-20200333474-A1 RADIATION DOSIMETRY SOL OR GEL AND RADIATION DOSIMETER COMPRISING SAME AS MATERIAL FOR RADIATION DOSIMETRY RIKEN (JP) 2020-10-22 US disclosed
EP-3686632-A1 RADIATION DOSIMETRY SOL OR GEL AND RADIATION DOSIMETER COMPRISING SAME AS MATERIAL FOR RADIATION DOSIMETRY Riken (JP) 2020-07-29 EP disclosed
WO-2020025488-A1 INORGANIC-ORGANIC HYBRID COMPOUNDS INCLUDING ORGANIC PLATINUM-CONTAINING ANIONS, FOR USE IN MEDICINE Karlsruher Institut für Technologie (DE) 2020-02-06 WO disclosed
US-7476874-B2 Self indicating radiation alert dosimeter JP LABORATORIES, INC. (US) 2009-01-13 US disclosed
US-7227158-B1 Stick-on self-indicating instant radiation dosimeter JP LABS, INC. (US) 2007-06-05 US disclosed
WO-2007041689-A2 METHODS OF SITE-SPECIFIC LABELING OF MOLECULES AND MOLECULES PRODUCED THEREBY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-04-12 WO disclosed
US-7172877-B2 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed
US-20060145091-A1 Self indicating radiation alert dosimeter JP LABORATORIES INC. 2006-07-06 US disclosed
EP-1599744-A2 SELF-INDICATING RADIATION ALERT DOSIMETER JP LABORATORIES, INC. (US) 2005-11-30 EP disclosed
US-20050233389-A1 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-10-20 US disclosed
US-20040209317-A1 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-10-21 US disclosed
WO-2004077097-A2 SELF-INDICATING RADIATION ALERT DOSIMETER JP LABORATORIES INC. (US) 2004-09-10 WO 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-20050233389-A1 Methods and compositions for peptide and protein labeling HLCS, BTD, QPCTL NPC1 3129/4885RAB9A 3654/4885MEN1 1564/4885
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE DLAT, FABP7, ACSL1 NPC1 1568/4885RAB9A 2297/4885MEN1 275/4885

“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.