SCHEMBL10000010

SCHEMBL10000010

O=C(O)CC1CCOC(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.39
SLC6A1 P30531 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
SLC6A12 P48065 2/20 0.36
SLC6A11 P48066 2/20 0.36
SLC6A13 Q9NSD5 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRA4 P48169 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ANPEP P15144 1/20 0.35
ENPEP Q07075 1/20 0.35
CA1 P00915 1/20 0.34

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
SCHEMBL15024826 0.84 CYP1A2 (0.41) ALDH1A1CYP1A2TP53LMNATSHR
SCHEMBL4194440 0.82 ALDH1A1 (0.47) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL15024691 0.79 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1
SCHEMBL10000025 0.79 CYP1A2 (0.40) ALDH1A1CYP1A2TP53LMNATSHR
SCHEMBL363328 0.79 CYP1A2 (0.42) ALDH1A1CYP1A2TP53LMNATSHR
SCHEMBL4206078 0.78 ALDH1A1 (0.51) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL10000021 0.77 CYP1A2 (0.40) ALDH1A1POLBCYP1A2TSHR
SCHEMBL1365878 0.77 HPGD (0.40) ALDH1A1L3MBTL1
SCHEMBL336991 0.76 ALDH1A1 (0.52) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL3146225 0.76 CYP1A2 (0.43) ALDH1A1CYP1A2TP53LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267689-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2017-09-21 US disclosed
US-20170267689-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2017-09-21 US disclosed
WO-2016029307-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-03 WO disclosed
US-8470958-B1 Antibiotic-bound poly(caprolactone) polymer UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-25 US disclosed
US-8470958-B1 Antibiotic-bound poly(caprolactone) polymer UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-25 US disclosed
US-20130150550-A1 Antibiotic-Bound Poly(Caprolactone) Polymer UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-13 US disclosed
US-20130150550-A1 Antibiotic-Bound Poly(Caprolactone) Polymer UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-13 US disclosed
US-8110678-B2 Antibiotic-bound poly(caprolactone) polymer UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-8110678-B2 Antibiotic-bound poly(caprolactone) polymer UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
WO-2007133706-A2 ANTIBIOTIC-BOUND POLY (CAPROLACTONE) POLYMER UNIVERSITY OF SOUTH FLORIDA (US) 2007-11-22 WO disclosed
US-20070265243-A1 Antibiotic-Bound Poly(Caprolactone) Polymer UNIVERSITY OF SOUTH FLORIDA (US) 2007-11-15 US disclosed
US-20070265243-A1 Antibiotic-Bound Poly(Caprolactone) Polymer UNIVERSITY OF SOUTH FLORIDA (US) 2007-11-15 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 (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-20070265243-A1 Antibiotic-Bound Poly(Caprolactone) Polymer CAPG, PGLS, GNE ALDH1A1 2039/4885POLB 1729/4885MAPT 1680/4885
US-20130150550-A1 Antibiotic-Bound Poly(Caprolactone) Polymer CAPG, PGLS, GNE ALDH1A1 2039/4885POLB 1729/4885MAPT 1680/4885
US-20170267689-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME PASK, PAM, PTMS ALDH1A1 4606/4885POLB 4768/4885MAPT 2889/4885

“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.