SCHEMBL5098437

SCHEMBL5098437

C=CCOC(=O)c1cc(N)ccc1OCC=C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.51
LIG1 P18858 1/20 0.46
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
KDM4E B2RXH2 2/20 0.42
SNCA P37840 1/20 0.40
FLT3 P36888 1/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL5098692 0.88 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL15956286 0.88 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL5102454 0.86 CYP3A4 (0.64) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL9960072 0.84 GAA (0.70) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL6689695 0.84 CYP3A4 (0.53) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL6692519 0.84 TSHR (0.74) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL1170618 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL5108252 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL5098476 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL5095303 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342005-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2008-03-11 US disclosed
US-7041836-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2006-05-09 US disclosed
US-20050209212-A1 Antibiotic compounds ASTRAZENECA UK LIMITED 2005-09-22 US disclosed
US-20030144264-A1 Antibiotic compounds ZENECA LIMITED 2003-07-31 US disclosed
US-6521612-B2 Antibiotic against grampositive, gramnegative bacteria ZENECA LTD. (GB) 2003-02-18 US disclosed
US-20020042408-A1 Antibiotic compounds ZENECA LIMITED 2002-04-11 US disclosed
US-6187804-B1 Antibiotic compounds ZENECA LIMITED (GB) 2001-02-13 US disclosed
US-5856321-A PREPARATION OF CARBAPENEMS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0579826-B1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LTD (GB) 1998-11-11 EP disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 WO 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 (3 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-20050209212-A1 Antibiotic compounds NRDC, NPR3, NGLY1 ALDH1A1 3269/4885TSHR 3766/4885HSD17B10 477/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 ALDH1A1 1382/4885TSHR 3965/4885HSD17B10 303/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 ALDH1A1 1579/4885TSHR 4017/4885HSD17B10 381/4885

“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.