SCHEMBL20582829

SCHEMBL20582829

Cc1c(O)ccc(N=O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.47
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPA1 O75762 2/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 2/20 0.35
GAA P10253 3/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.33
ESR2 Q92731 4/20 0.32
ESR1 P03372 3/20 0.32
MEN1 O00255 3/20 0.32
ALOX15 P16050 3/20 0.32

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
SCHEMBL9296302 0.84 RPS6KA3 (0.42) RPS6KA3KDM4EALDH1A1MAPTTDP1
SCHEMBL9860043 0.82 KDM4E (0.38) RPS6KA3KDM4EALDH1A1MAPTTDP1
SCHEMBL457151 0.79 TRPA1 (0.50) KDM4EALDH1A1MAPTTDP1NPC1
SCHEMBL68013 0.76 TRPA1 (0.53) KDM4EALDH1A1MAPTTDP1NPSR1
SCHEMBL29457565 0.76 TRPA1 (0.53) KDM4EALDH1A1MAPTTDP1NPSR1
SCHEMBL13094307 0.74 ALDH1A1 (0.39) RPS6KA3KDM4EALDH1A1MAPTTDP1
SCHEMBL22296486 0.74 ALDH1A1 (0.36) KDM4EALDH1A1MAPTTDP1NPC1
SCHEMBL12820592 0.73 CA12 (0.48) KDM4EALDH1A1MAPTTDP1NPSR1
Methane SCHEMBL27535749 0.73 TRPA1 (0.50) KDM4EALDH1A1MAPTTDP1NPSR1
SCHEMBL2914893 0.72 TDP1 (0.44) KDM4EALDH1A1MAPTTDP1NPC1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384691-A A kind of synthetic method of carbamates vulcanizer 山西省化工研究所(有限公司) 2019-02-26 CN claimed
CN-111051468-B Homogeneous anaerobically stable quantum dot concentrates 昭荣化学工业株式会社 2024-06-04 CN disclosed
US-11584646-B2 Homogeneous anaerobically stable quantum dot concentrates NANOSYS, INC. (US) 2023-02-21 US disclosed
CN-114702411-A Method for producing 1, 2-benzenedimethanol compound 高文作物保护公司 2022-07-05 CN disclosed
CN-108602765-B Method for producing 1, 2-benzenedimethanol compound 高文有限公司 2022-05-03 CN disclosed
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound GOWAN COMPANY, L.L.C. (US) 2022-03-15 US disclosed
EP-3415496-B1 PROCESS FOR PREPARING 1,2-BENZENEDIMETHANOL COMPOUND GOWAN COMPANY L L C (US) 2021-07-21 EP disclosed
US-20210130170-A1 HOMOGENEOUS ANAEROBICALLY STABLE QUANTUM DOT CONCENTRATES NANOSYS, INC. (US) 2021-05-06 US disclosed
US-10919770-B2 Homogeneous anaerobically stable quantum dot concentrates NANOSYS, INC. (US) 2021-02-16 US disclosed
US-20200399263-A1 PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2020-12-24 US disclosed
CN-111051468-A Homogeneous anaerobically stable quantum dot concentrates 纳米系统公司 2020-04-21 CN disclosed
US-20180370800-A1 HOMOGENEOUS ANAEROBICALLY STABLE QUANTUM DOT CONCENTRATES NANOSYS, INC. (US) 2018-12-27 US disclosed
WO-2018237236-A1 HOMOGENEOUS ANAEROBICALLY STABLE QUANTUM DOT CONCENTRATES SMITH AUSTIN (US) 2018-12-27 WO disclosed
EP-3415496-A1 METHOD FOR PRODUCING 1, 2-BENZENE DIMETHANOL COMPOUND SDS Biotech K. K. (JP) 2018-12-19 EP disclosed
CN-108602765-A Method for producing 1, 2-benzenedimethanol compound SDS生物技术株式会社 2018-09-28 CN disclosed
CN-103045149-A Heat vulcanization adhesive for bonding vulcanized rubber or thermoplastic rubber with hard panel SHANGHAI PULITONG NEW MATERIAL TECHNOLOGY CO LTD 2013-04-17 CN disclosed
CN-1478078-A Nitrogen-containing aromatic ring derivatives ������������ʽ���� 2004-02-25 CN 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-20200399263-A1 PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND ADH1A, ADH1C, CYP2E1 RPS6KA3 3268/4885KDM4E 3316/4885ALDH1A1 50/4885
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound ADH1A, ADH1C, CYP2E1 RPS6KA3 3268/4885KDM4E 3316/4885ALDH1A1 50/4885

“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.