SCHEMBL45032

SCHEMBL45032

CN(N)COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
AOC3 Q16853 2/20 0.46
KCNA3 P22001 1/20 0.46
LTA4H P09960 3/20 0.46
PLA2G2A P14555 1/20 0.45
MAOA P21397 1/20 0.42
PTGS1 P23219 1/20 0.42
HTR1B P28222 2/20 0.42
LMNA P02545 1/20 0.42
HTR1D P28221 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
SCN4A P35499 1/20 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
SCHEMBL12456886 0.81 LTA4H (0.53) TAAR1KCNA3LTA4HHTR1BLMNA
SCHEMBL863049 0.81 TAAR1 (0.50) TAAR1KCNA3LTA4HPLA2G2AHTR1B
SCHEMBL8820096 0.78 LTA4H (0.61) TAAR1AOC3KCNA3LTA4HPLA2G2A
SCHEMBL45031 0.77 TAAR1 (0.46) TAAR1KCNA3LTA4HPLA2G2AMAOA
SCHEMBL16425203 0.76 HTT (0.46) TAAR1KCNA3LTA4HPLA2G2AHTR1B
Anisole SCHEMBL27502886 0.74 CA4 (0.58) TAAR1KCNA3LTA4H
SCHEMBL12890249 0.74 LMNA (0.48) TAAR1KCNA3LTA4HMAOAPTGS1
SCHEMBL6002603 0.73 LTA4H (0.49) TAAR1KCNA3LTA4HLMNASMN1; SMN2
SCHEMBL23506286 0.72 SMN1; SMN2 (0.44) TAAR1LTA4HMAOAPTGS1SMN1; SMN2
SCHEMBL11212212 0.72 TAAR1 (0.47) TAAR1AOC3KCNA3LTA4HPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258757-A1 ANTI-CANCER AGENT DELIVERY VEHICLES CAPABLE OF IMPROVED LOADING AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-09-14 US claimed
EP-1888651-B1 ALDEHYDE CONJUGATED FLAVONOID PREPARATIONS AGENCY SCIENCE TECH & RES (SG) 2014-07-30 EP claimed
EP-2544768-A1 ANTI-CANCER AGENT DELIVERY VEHICLES CAPABLE OF IMPROVED LAODING Agency For Science, Technology And Research (SG) 2013-01-16 EP claimed
US-20130004488-A1 ANTI-CANCER AGENT DELIVERY VEHICLES CAPABLE OF IMPROVED LOADING AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-01-03 US claimed
US-8138163-B2 Aldehyde conjugated flavonoid preparations AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-03-20 US claimed
WO-2011112156-A1 ANTI-CANCER AGENT DELIVERY VEHICLES CAPABLE OF IMPROVED LAODING AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-09-15 WO claimed
US-20110135733-A1 ALDEHYDE CONJUGATED FLAVONOID PREPARATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2011-06-09 US claimed
US-7858080-B2 Aldehyde conjugated flavonoid preparations AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-12-28 US claimed
EP-1888651-A1 ALDEHYDE CONJUGATED FLAVONOID PREPARATIONS Agency for Science, Technology and Research (SG) 2008-02-20 EP claimed
WO-2006124000-A1 ALDEHYDE CONJUGATED FLAVONOID PREPARATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 WO claimed
WO-2023013719-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING CANCER 東レ株式会社 2023-02-09 WO disclosed
EP-2214715-B1 METHOD OF DELIVERING AN ANTI-CANCER AGENT TO A CELL AGENCY SCIENCE TECH & RES (SG) 2018-04-18 EP disclosed
US-20180015180-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2018-01-18 US disclosed
EP-2323693-B1 DRUG CARRIERS NITTO DENKO CORP (JP) 2017-11-08 EP disclosed
US-20170258757-A1 ANTI-CANCER AGENT DELIVERY VEHICLES CAPABLE OF IMPROVED LOADING AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-09-14 US disclosed
US-20100028416-A1 DRUG CARRIERS NITTO DENKO CORPORATION (JP) 2010-02-04 US disclosed
WO-2009054813-A1 METHOD OF DELIVERING AN ANTI-CANCER AGENT TO A CELL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-04-30 WO disclosed
US-20080102052-A1 ALDEHYDE CONJUGATED FLAVONOID PREPARATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2008-05-01 US disclosed
EP-1888651-A1 ALDEHYDE CONJUGATED FLAVONOID PREPARATIONS Agency for Science, Technology and Research (SG) 2008-02-20 EP disclosed
WO-2006124000-A1 ALDEHYDE CONJUGATED FLAVONOID PREPARATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 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-20100028416-A1 DRUG CARRIERS HDGF, FIBP, HAVCR2 TAAR1 3081/4885AOC3 3550/4885KCNA3 4872/4885
US-20180015180-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP TAAR1 2849/4885AOC3 3765/4885KCNA3 2911/4885

“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.