SCHEMBL3199145

SCHEMBL3199145

O=C(O)CCNC(=O)CCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
HPGD P15428 2/20 0.66
TSHR P16473 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
KEAP1 Q14145 1/20 0.64
MEN1 O00255 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 1/20 0.62
HDAC2 Q92769 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
FFAR1 O14842 1/20 0.60
GAA P10253 1/20 0.59
HDAC1 Q13547 3/20 0.58
HDAC3 O15379 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
NCOR2 Q9Y618 2/20 0.58
HDAC4 P56524 1/20 0.58

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
SCHEMBL4656759 0.92 LMNA (0.70) LMNAHPGDTSHRL3MBTL1MEN1
SCHEMBL3393624 0.89 LMNA (0.77) LMNAHPGDTSHRL3MBTL1MEN1
SCHEMBL9829299 0.89 LMNA (0.77) LMNAHPGDTSHRL3MBTL1KEAP1
SCHEMBL2186352 0.89 HDAC2 (0.72) LMNAHPGDL3MBTL1MEN1RAB9A
SCHEMBL2101709 0.86 LMNA (0.77) LMNAHPGDTSHRL3MBTL1KEAP1
SCHEMBL8359413 0.86 LMNA (0.77) LMNATSHRL3MBTL1MEN1KMT2A
SCHEMBL3681101 0.85 CNR2 (0.68) LMNAHPGDTSHRL3MBTL1KEAP1
SCHEMBL8744900 0.85 HPGD (0.81) LMNAHPGDTSHRL3MBTL1KEAP1
SCHEMBL6290165 0.85 HPGD (0.66) LMNAHPGDTSHRL3MBTL1KEAP1
SCHEMBL166980 0.85 L3MBTL1 (0.71) LMNATSHRL3MBTL1KEAP1KMT2A

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-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
CN-101267803-B Wrinkle-improving agent SHISEIDO CO LTD 2011-06-08 CN disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
CN-101267803-A Wrinkle-improving agent SHISEIDO CO LTD (JP) 2008-09-17 CN disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 LMNA 133/4885HPGD 1474/4885TSHR 4713/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 LMNA 277/4885HPGD 2394/4885TSHR 4711/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 LMNA 105/4885HPGD 1299/4885TSHR 4731/4885

“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.