SCHEMBL6875459

SCHEMBL6875459

O=[C]C(O)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.44
ESR2 Q92731 7/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
HIF1A Q16665 3/20 0.43
NFKB1 P19838 2/20 0.43
HTR3A P46098 1/20 0.43
TSHR P16473 1/20 0.43
ALOX15 P16050 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
APEX1 P27695 1/20 0.41
CYP3A4 P08684 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
THPO P40225 2/20 0.40
BLM P54132 2/20 0.40
CA12 O43570 2/20 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
SCHEMBL4433661 0.78 BRD4 (0.42) HIF1ANFKB1TSHRALOX15TDP1
SCHEMBL8943828 0.78 ALDH1A1 (0.41) TSHRTDP1LMNAALDH1A1MEN1
SCHEMBL10949896 0.78 MAPT (0.38) HIF1ATSHRALOX15KDM4ETDP1
SCHEMBL10953516 0.78 HDAC3 (0.42) LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL5566727 0.77 TSHR (0.58) TSHRTDP1LMNAALDH1A1CYP2D6
SCHEMBL5566020 0.77 TSHR (0.58) TSHRTDP1LMNAALDH1A1CYP2D6
SCHEMBL11186081 0.77 ESR1 (0.46) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL2598805 0.77 TSHR (0.58) TSHRTDP1LMNAALDH1A1CYP2D6
SCHEMBL9181782 0.77 ESR1 (0.46) ESR1ESR2PDCD1CD274TAAR1
SCHEMBL11747478 0.76 TSHR (0.55) TSHRALOX15ALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040260084-A1 Novel c-3 s/o-and s/n formaldehe acetal derivatives of cephalosporins and their use as antibotics PFAENDLER HANS R (DE) 2004-12-23 US claimed
EP-1444237-A1 NOVEL C-3 S/O- AND S/N FORMALDEHE ACETAL DERIVATIVES OF CEPHALO SPORINS AND THEIR USE AS ANTIBIOTICS Pfaendler, Hans Rudolf (DE) 2004-08-11 EP claimed
WO-2003042219-A1 NOVEL C-3 S/O- AND S/N FORMALDEHE ACETAL DERIVATIVES OF CEPHALO SPORINS AND THEIR USE AS ANTIBIOTICS PFAENDLER HANS RUDOLF (DE) 2003-05-22 WO claimed
US-20040260084-A1 Novel c-3 s/o-and s/n formaldehe acetal derivatives of cephalosporins and their use as antibotics PFAENDLER HANS R (DE) 2004-12-23 US disclosed
EP-1444237-A1 NOVEL C-3 S/O- AND S/N FORMALDEHE ACETAL DERIVATIVES OF CEPHALO SPORINS AND THEIR USE AS ANTIBIOTICS Pfaendler, Hans Rudolf (DE) 2004-08-11 EP disclosed
WO-2003042219-A1 NOVEL C-3 S/O- AND S/N FORMALDEHE ACETAL DERIVATIVES OF CEPHALO SPORINS AND THEIR USE AS ANTIBIOTICS PFAENDLER HANS RUDOLF (DE) 2003-05-22 WO disclosed
US-5532353-A Process for the preparation of halogenated β-lactam compounds BIOCHIMICA OPOS SPA (IT) 1996-07-02 US disclosed
EP-0570058-A2 Process for the preparation of halogenated beta-lactam compounds BIOCHIMICA OPOS SPA (IT) 1993-11-18 EP disclosed
US-4992544-A Intermediates for b-lactam antibiotics and b-lactamase inhibitor UNIVERSITY OF NOTRE DAME DU LAC (US) 1991-02-12 US disclosed
US-4537720-A N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamino)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1985-08-27 US disclosed
US-4533497-A N-ethylidene azetidinones ELI LILLY AND COMPANY (US) 1985-08-06 US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed
US-4060688-A Cephalosporin intermediates ELI LILLY AND COMPANY (US) 1977-11-29 US disclosed
US-4044000-A Substituted β-lactam antibiotics ELI LILLY AND COMPANY (US) 1977-08-23 US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 US disclosed
US-3994885-A WITH ALKALI METAL ALKOXIDE, HALOGENATION ELI LILLY AND COMPANY (US) 1976-11-30 US disclosed
US-3992377-A 3-Thio-substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1976-11-16 US disclosed
US-3985737-A ANTIBACTERIAL AGENTS ELI LILLY AND COMPANY (US) 1976-10-12 US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed
US-3954731-A Process for preparing 6-alkoxypenicillanic and 7-alkoxycephalosporin acids ELI LILLY AND COMPANY (US) 1976-05-04 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-20040260084-A1 Novel c-3 s/o-and s/n formaldehe acetal derivatives of cephalosporins and their use as antibotics CBR3, CBR1, SULT1E1 ESR1 1678/4885ESR2 1260/4885PDCD1 4456/4885

“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.