SCHEMBL346071

SCHEMBL346071

O=c1occcc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 6/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NQO1 P15559 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL7482429 0.79 CYP2C9 (0.44) CA1CA9ALDH1A1CYP2C19MAPT
SCHEMBL12379211 0.72 MAPT (0.45) CA1CA9ALDH1A1MAPTNPSR1
SCHEMBL24550469 0.72 SLC6A2 (0.50) ALDH1A1CYP2C19MAPTGAAKMT2A
SCHEMBL1934617 0.72 CYP2C19 (0.48) ALDH1A1CYP2C19MAPTNPSR1KMT2A
SCHEMBL8627683 0.72 CYP2C19 (0.48) ALDH1A1CYP2C19MAPTNPSR1KMT2A
SCHEMBL14776314 0.69 ALDH1A1 (0.44) ALDH1A1GAAKMT2ATDP1LMNA
SCHEMBL28537348 0.68 MAPK1 (0.44) MAPTNPSR1GAAKMT2ANQO1
SCHEMBL17530314 0.66
SCHEMBL11877378 0.66 MIF (0.43) ALDH1A1CYP2C19MAPTKMT2ATDP1
SCHEMBL21420998 0.66 IDO1 (0.41) ALDH1A1GAAKMT2ATDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993917-B2 Nanocomplex AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-04 US disclosed
EP-3142705-B1 POLYMER-FLAVONOID CONJUGATE AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2020-08-19 EP disclosed
EP-2435504-B1 FLAVONOID HYDROGEL AGENCY SCIENCE TECH & RES (SG) 2020-03-11 EP disclosed
US-10406175-B2 Polymer-flavonoid conjugate and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-09-10 US disclosed
US-20190262271-A1 A NANOCOMPLEX AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-08-29 US disclosed
US-10221253-B2 Phase separated composite AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-05 US disclosed
WO-2018124970-A1 A NANOCOMPLEX AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-05 WO 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-20170216446-A1 POLYMER-FLAVONOID CONJUGATE AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-08-03 US disclosed
US-9687464-B2 Anti-cancer agent delivery vehicles capable of improved loading AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-27 US disclosed
WO-2011019323-A1 PARTICULATE HYALURONIC ACID FORMULATIONS FOR CELLULAR DELIVERY OF BIOACTIVE AGENTS AGENCY FOR SCIENCE TECHNOLOGY AND RESEARCH (SG) 2011-02-17 WO disclosed
US-7858080-B2 Aldehyde conjugated flavonoid preparations AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-12-28 US disclosed
WO-2010138082-A1 FLAVONOID HYDROGEL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-12-02 WO disclosed
EP-2214715-A1 METHOD OF DELIVERING AN ANTI-CANCER AGENT TO A CELL Agency for Science, Technology And Research (SG) 2010-08-11 EP disclosed
US-20100075926-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-25 US disclosed
WO-2010011318-A2 ACTIVATIQN OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-01-28 WO 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 (6 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-10221253-B2 Phase separated composite COL2A1, COL1A1, COL14A1 CA1 1073/4885CA9 1136/4885ALDH1A1 213/4885
US-10993917-B2 Nanocomplex CD44, PROC, MUC1 CA1 390/4885CA9 48/4885ALDH1A1 678/4885
US-20170216446-A1 POLYMER-FLAVONOID CONJUGATE AND USES THEREOF SYVN1, SELP, PCSK6 CA1 4229/4885CA9 2742/4885ALDH1A1 2541/4885
US-20100075926-A1 ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL GRIK5, HDAC11, GRIK1 CA1 159/4885CA9 1651/4885ALDH1A1 2825/4885
US-10406175-B2 Polymer-flavonoid conjugate and uses thereof SYVN1, SELP, PCSK6 CA1 4229/4885CA9 2742/4885ALDH1A1 2541/4885
US-20190262271-A1 A NANOCOMPLEX CD44, MUC1, PROC CA1 385/4885CA9 59/4885ALDH1A1 610/4885

“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.