SCHEMBL10734883

SCHEMBL10734883

O=C(O)CC(CCc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.67
CPA3 P15088 2/20 0.67
CPB1 P15086 1/20 0.67
CPB2 Q96IY4 1/20 0.67
CYP1A2 P05177 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
MMP14 P50281 1/20 0.53
FOLH1 Q04609 2/20 0.50
GRIK1 P39086 1/20 0.50
KEAP1 Q14145 1/20 0.50
LAP3 P28838 1/20 0.48
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48

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
SCHEMBL11311301 1.00 CPA1 (0.67) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9196227 1.00 CPA1 (0.67) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL16980966 0.90 MMP12 (0.69) CPA1CPA3CPB1CPB2MMP2
SCHEMBL7319632 0.89 GRIK1 (0.64) CPA1CPA3CPB1CPB2MMP2
SCHEMBL1857365 0.88 CYP1A2 (0.61) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7439191 0.86 GRIK1 (0.64) CPA1CPA3CPB1CPB2CYP1A2
Water SCHEMBL4010621 0.86 CYP1A2 (0.59) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7439419 0.86 GRIK1 (0.64) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7439193 0.86 GRIK1 (0.64) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL2132481 0.85 GRIK1 (0.51) CPA1CPA3CPB1CPB2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4174391-A ANIMAL GROWTH REGULATORS MAY & BAKER LIMITED (GB) 1979-11-13 US claimed
US-20170280984-A1 POLYMER-TYPE FLUORESCENT MOLECULE PROBE MAEDA HIROSHI (JP) 2017-10-05 US disclosed
US-9636426-B2 Polymer-type fluorescent molecule probe Maeda, Hiroshi (JP) 2017-05-02 US disclosed
US-20140294735-A1 POLYMER-TYPE FLUORESCENT MOLECULE PROBE HIROSHI MAEDA (JP) 2014-10-02 US disclosed
US-7682630-B2 Antitumor agent and process for producing the same Maeda, Hiroshi (JP) 2010-03-23 US disclosed
CN-1205181-C Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUOTS LT (DK) 2005-06-08 CN disclosed
CN-1289323-A Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUOTS LT (DK) 2001-03-28 CN disclosed
US-4642315-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1987-02-10 US disclosed
US-4587234-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1986-05-06 US disclosed
US-4499079-A ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-02-12 US disclosed
US-4174391-A ANIMAL GROWTH REGULATORS MAY & BAKER LIMITED (GB) 1979-11-13 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-20140294735-A1 POLYMER-TYPE FLUORESCENT MOLECULE PROBE PBRM1, EPCAM, CD44 CPA1 2244/4885CPA3 1522/4885CPB1 1056/4885
US-20170280984-A1 POLYMER-TYPE FLUORESCENT MOLECULE PROBE MKI67, PBRM1, CD44 CPA1 1633/4885CPA3 1186/4885CPB1 976/4885

“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.