SCHEMBL526418

SCHEMBL526418

O=C(Oc1ccccc1)C(O)C(O)C(=O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ELANE P08246 3/20 0.48
TDP1 Q9NUW8 2/20 0.47
ALOX15 P16050 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NSD2 O96028 1/20 0.42
SLC1A3 P43003 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SRD5A2 P31213 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL13517020 1.00 ATM (0.53) ATML3MBTL1ELANETDP1ALOX15
SCHEMBL526417 0.94 ATM (0.49) ATML3MBTL1ELANETDP1ALOX15
SCHEMBL29169719 0.87 ELANE (0.51) ATML3MBTL1ELANETDP1ALOX15
SCHEMBL7943355 0.87 ATM (0.56) ATML3MBTL1ELANETDP1ALOX15
SCHEMBL27716432 0.87 ATM (0.44) ATML3MBTL1ELANETDP1ALOX15
SCHEMBL4191464 0.86 ATM (0.58) ATML3MBTL1ELANETDP1ALOX15
Guanidine SCHEMBL10882668 0.85 ATM (0.42) ATML3MBTL1ELANETDP1ALOX15
SCHEMBL27736207 0.84 ELANE (0.49) ATML3MBTL1ELANETDP1KDM4E
SCHEMBL6554232 0.84 ATM (0.52) ATML3MBTL1ELANETDP1ALOX15
SCHEMBL31086956 0.83 ATM (0.55) ATML3MBTL1ELANETDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402113-A Production method of 8-hydroxyquinoline copper 苏州华道生物药业股份有限公司 2024-01-16 CN claimed
CN-116082334-A Preparation method of non-neridrone and intermediate thereof 上海新礼泰药业有限公司 2023-05-09 CN claimed
CN-116041347-A Preparation method of non-nereirenone intermediate 上海新礼泰药业有限公司 2023-05-02 CN claimed
US-9447297-B2 Phase change ink containing amorphous amides XEROX CORPORATION (US) 2016-09-20 US claimed
US-9193883-B2 Phase change ink containing polyester for improved image robustness XEROX CORPORATION (US) 2015-11-24 US claimed
US-9127180-B2 Phase change inks comprising organic pigments XEROX CORPORATION (US) 2015-09-08 US claimed
US-9090791-B2 Mixtures of ester of tartaric acid and ester of citric acid as amorphous materials for phase change inks XEROX CORPORATION (US) 2015-07-28 US claimed
US-9051486-B2 Phase change ink components and methods of making the same XEROX CORPORATION (US) 2015-06-09 US claimed
US-20150103122-A1 Phase Change Ink Containing Amorphous Amides XEROX CORPORATION (US) 2015-04-16 US claimed
US-20140368588-A1 Phase Change Ink Containing Polyester For Improved Image Robustness Genesee Valley Innovations, LLC 2014-12-18 US claimed
US-20130284051-A1 PHASE CHANGE INKS COMPRISING FATTY ACIDS XEROX CORPORATION (US) 2013-10-31 US claimed
US-8465579-B2 Solid ink compositions comprising crystalline esters of tartaric acid XEROX CORPORATION (US) 2013-06-18 US claimed
US-20120291663-A1 PHASE CHANGE INK COMPONENTS AND METHODS OF MAKING THE SAME XEROX CORPORATION (US) 2012-11-22 US claimed
US-8308859-B1 Phase change ink components and methods of making the same XEROX CORPORATION (US) 2012-11-13 US claimed
US-20120272860-A1 PHASE CHANGE INK COMPONENTS AND METHODS OF MAKING THE SAME XEROX CORPORATION (US) 2012-11-01 US claimed
US-20120272863-A1 SOLID INK COMPOSITIONS COMPRISING CRYSTALLINE ESTERS OF TARTARIC ACID XEROX CORPORATION (US) 2012-11-01 US claimed
CN-102757683-A Solid ink compositions comprising amorphous esters of tartaric acid XEROX CORP 2012-10-31 CN claimed
CN-102757688-A Phase change ink components and methods of making the same XEROX CORP 2012-10-31 CN claimed
EP-1109623-A1 NOVEL SOLID OXIDATION CATALYSTS, IN PARTICULAR FOR EPOXIDATION OF PROCHIRAL COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2001-06-27 EP claimed
WO-2000003802-A1 NOVEL SOLID OXIDATION CATALYSTS, IN PARTICULAR FOR EPOXIDATION OF PROCHIRAL COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2000-01-27 WO claimed

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-20120291663-A1 PHASE CHANGE INK COMPONENTS AND METHODS OF MAKING THE SAME ALK, TARDBP, MAPT ATM 571/4885L3MBTL1 1318/4885ELANE 3020/4885

“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.