SCHEMBL296938

SCHEMBL296938

[CH2]CCCOC(=O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.78
LMNA P02545 3/20 0.61
MAPK1 P28482 2/20 0.53
HIF1A Q16665 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
ESR1 P03372 2/20 0.49
TSHR P16473 2/20 0.49
ESR2 Q92731 1/20 0.49
F2 P00734 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR1H2 P55055 1/20 0.47
RNASEL Q05823 1/20 0.47

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
SCHEMBL789219 0.94 TDP1 (0.81) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL297349 0.93 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL297718 0.93 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL8772606 0.93 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL9189899 0.92 TDP1 (0.85) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL298607 0.88 TDP1 (0.70) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL223441 0.88 TDP1 (1.00) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL416566 0.88 TDP1 (0.91) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL9341245 0.86 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL223238 0.86 TDP1 (0.96) TDP1LMNAMAPK1HIF1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102448932-A Azetidinone compounds and medical application thereof ZHEJIANG HISUN PHARM CO LTD 2012-05-09 CN claimed
WO-2003010318-A2 DESULFOGLUCOSINOLATE SULFOTRANSFERASES, SEQUENCES CODING THE SAME AND USES THEREOF FOR MODULATING GLUCOSINOLATE BIOSYNTHESIS IN PLANTS UNIVERSITE CONCORDIA (CA) 2003-02-06 WO claimed
US-5329016-A Antianxiety, hypnotic agents, antiepileptic agents or nootropics YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-07-12 US claimed
US-5175162-A Anxiolytic, antiepilepic agents YOSHITIOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1992-12-29 US claimed
WO-2024105148-A1 PLANTS WITH LOW SEED GLUCOSINOLATE CONTENT UNIVERSITY OF COPENHAGEN (DK) 2024-05-23 WO disclosed
US-20240115626-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES CHURCH & DWIGHT CO., INC. (US) 2024-04-11 US disclosed
US-11801273-B2 Compositions and methods to increase production of isothiocyanates CHURCH & DWIGHT CO., INC. (US) 2023-10-31 US disclosed
WO-2023133494-A2 OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS BRASSICA PROTECTION PRODUCTS LLC (US) 2023-07-13 WO disclosed
WO-2022140409-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES CHURCH & DWIGHT CO., INC. (US) 2022-06-30 WO disclosed
US-20220193152-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES CHURCH & DWIGHT CO., INC. (US) 2022-06-23 US disclosed
US-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS KONSTANTOPOULOS KONSTANTINOS (US) 2019-02-14 US disclosed
WO-2017178509-A1 METHODS FOR PREDICTING SENSIBILITY TO TREATMENT WITH PARP INHIBITORS IN CANCEROUS PATIENTS XENTECH (FR) 2017-10-19 WO disclosed
EP-0007633-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-04-18 EP disclosed
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed
US-4372952-A Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-08 US disclosed
EP-0049539-A1 Thiazole derivatives for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-14 EP disclosed
US-4284631-A 7-Substituted cephem compounds and pharmaceutical antibacterial compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
EP-0007633-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-06 EP disclosed
US-4179435-A SULPHONIC ACID-FREE CIBA-GEIGY CORPORATION (US) 1979-12-18 US disclosed
US-4115381-A FOR POLYESTER FIBERS CIBA-GEIGY CORPORATION (US) 1978-09-19 US 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 (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-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 TDP1 2915/4885LMNA 2406/4885MAPK1 675/4885

“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.