SCHEMBL3960907

SCHEMBL3960907

O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
TDP1 Q9NUW8 2/20 0.62
SLC6A2 P23975 1/20 0.62
SLC6A3 Q01959 1/20 0.62
LMNA P02545 3/20 0.61
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 2/20 0.58
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
SMPD1 P17405 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 2/20 0.50
RXRA P19793 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LTB4R Q15722 1/20 0.49

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
SCHEMBL30141105 1.00 KMT2A (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL873776 0.91 SMPD1 (0.70) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2087641 0.91 NPC1 (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2706286 0.90 KMT2A (0.54) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL4403626 0.90 SMN1; SMN2 (0.61) KMT2ALMNARAB9ANPC1SMN1; SMN2
SCHEMBL10861035 0.89 SMN1; SMN2 (0.63) KMT2ALMNARAB9ANPC1SMN1; SMN2
SCHEMBL17289269 0.88 NPC1 (0.53) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3960881 0.88 LMNA (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL22015271 0.88 LMNA (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL1647432 0.88 TDP1 (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA

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
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes ACADEMIA SINICA (TW) 2026-04-21 US disclosed
US-20250120944-A1 ANTIBACTERIAL COMPOSITION SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2025-04-17 US disclosed
US-20240336588-A1 COMPOSITIONS AND METHODS FOR ANTIOXIDANT AND ANTI-INFLAMMATORY THERAPEUTICS AVANTI BIOSCIENCES, INC. 2024-10-10 US disclosed
EP-4410774-A1 ANTIBACTERIAL COMPOSITION Seoul National University R&DB Foundation (KR) 2024-08-07 EP disclosed
EP-4370113-A1 COMPOSITIONS AND METHODS FOR ANTIOXIDANT AND ANTI-INFLAMMATORY THERAPEUTICS Avanti Biosciences Inc. (US) 2024-05-22 EP disclosed
WO-2023048337-A1 ANTIBACTERIAL COMPOSITION 서울대학교산학협력단 2023-03-30 WO disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 US disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 US disclosed
WO-2023288020-A1 COMPOSITIONS AND METHODS FOR ANTIOXIDANT AND ANTI-INFLAMMATORY THERAPEUTICS AVANTI BIOSCIENCES INC. (US) 2023-01-19 WO disclosed
WO-2023288020-A1 COMPOSITIONS AND METHODS FOR ANTIOXIDANT AND ANTI-INFLAMMATORY THERAPEUTICS AVANTI BIOSCIENCES INC. (US) 2023-01-19 WO disclosed
WO-2019071351-A1 NOVEL FLUORINATED 4-ARYLOXYQUINAZOLINE DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2019-04-18 WO disclosed
EP-2753333-B1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED INC (US) 2017-06-21 EP disclosed
EP-2753333-B1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED INC (US) 2017-06-21 EP disclosed
US-9169255-B2 Caffeinated compounds and compositions for treatment of amyloid diseases and synucleinopathies PROTEO TECH INC. (US) 2015-10-27 US disclosed
US-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED, INC. 2014-07-10 US disclosed
WO-2013062762-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC (US) 2013-05-02 WO disclosed
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 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 (5 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-20250120944-A1 ANTIBACTERIAL COMPOSITION SQSTM1, BECN1, ATG7 KMT2A 3655/4885TDP1 4598/4885SLC6A2 3342/4885
US-20240336588-A1 COMPOSITIONS AND METHODS FOR ANTIOXIDANT AND ANTI-INFLAMMATORY THERAPEUTICS MPO, GPX4, GPX1 KMT2A 4001/4885TDP1 1665/4885SLC6A2 4311/4885
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes PDIA4, PDIA5, PDIA6 KMT2A 4291/4885TDP1 4219/4885SLC6A2 3853/4885
US-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SNCA, PARK7, APP KMT2A 3139/4885TDP1 428/4885SLC6A2 143/4885
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 KMT2A 3652/4885TDP1 4080/4885SLC6A2 4623/4885

“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.