SCHEMBL10000009

SCHEMBL10000009

O=C1CCC(CC(=O)OCc2ccccc2)CCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDC25B P30305 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL15060580 0.87 MEN1 (0.38) GLAALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL304993 0.85 ALDH1A1 (0.51) GLAALDH1A1MAPK1L3MBTL1CYP2C19
SCHEMBL305022 0.85 GLA (0.52) GLAALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL4143101 0.83 ALDH1A1 (0.59) GLAALDH1A1MAPK1L3MBTL1CYP2C19
SCHEMBL1365878 0.81 HPGD (0.40) ALDH1A1L3MBTL1KMT2ARAB9AGAA
SCHEMBL2855104 0.80 FABP7 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL305021 0.80 ALDH1A1 (0.56) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL665165 0.80 LMNA (0.45) ALDH1A1LMNANPSR1NPC1RAB9A
SCHEMBL20234917 0.80 CYP2C19 (0.53) GLAALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL304920 0.79 NPC1 (0.55) GLAALDH1A1MAPK1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 GLA 147/4885ALDH1A1 2039/4885MAPK1 4541/4885
US-20130150550-A1 Antibiotic-Bound Poly(Caprolactone) Polymer CAPG, PGLS, GNE GLA 147/4885ALDH1A1 2039/4885MAPK1 4541/4885

“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.