SCHEMBL819149

SCHEMBL819149

CCCCC1C(=O)N1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
TP53 P04637 3/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7192019 0.84 GAA (0.50) ELANEMMP1MMP3MMP9TP53
SCHEMBL7194468 0.84 GAA (0.41) ELANEMMP1MMP3MMP9TP53
SCHEMBL1358142 0.83 L3MBTL1 (0.41) ELANEMMP1MMP3MMP9TP53
SCHEMBL9017602 0.81 GBA1 (0.49) MMP1MMP3MMP9TP53GAA
SCHEMBL9017626 0.81 GBA1 (0.49) MMP1MMP3MMP9TP53GAA
SCHEMBL7203140 0.78 CYP3A4 (0.34) ELANEMMP1MMP3MMP9TP53
SCHEMBL818514 0.76
SCHEMBL24162980 0.74 MMP1 (0.32) MMP1MMP9
SCHEMBL6850956 0.68 ELANE (0.59) ELANEMMP1MMP3MMP9TP53
SCHEMBL35761 0.68 ALDH1A1 (0.36) ELANEMMP1MMP3MMP9TP53

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004599-B1 Process for the preparation of an n-alkyl lactam with improved colour quality BASF SE (DE) 2011-11-09 EP claimed
US-6639093-B2 Reacting benzyl chloride with hydroxybenzoic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-10-28 US claimed
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 2003-03-20 US claimed
EP-1249443-A2 Process for the production of hydroxybenzoic acid benzyl esters BAYER AG (DE) 2002-10-16 EP claimed
EP-2486090-B1 PLASTICIZED POLYMERIC COMPOSITIONS ISP INVESTMENTS INC (US) 2017-12-06 EP disclosed
US-9359486-B2 Plasticized polymeric compositions ISP INVESTMENTS INC. (US) 2016-06-07 US disclosed
CN-102770404-B The manufacture method of the ester cpds containing α, β-unsaturated link(age) JX NIPPON OIL & ENERGY CORP. (JP) 2016-01-27 CN disclosed
US-8946468-B2 Process for producing ester compound having an internal unsaturated bond or cyclic olefin JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-02-03 US disclosed
CN-102224125-B Process for producing ketone NIPPON OIL CORP 2013-11-20 CN disclosed
US-8507728-B2 Method for manufacturing ketone JX NIPPON OIL & ENERGY CORPORATION (JP) 2013-08-13 US disclosed
US-20120316360-A1 PROCESS FOR PRODUCING ESTER COMPOUND HAVING a,ß-UNSATURATED BOND OSAKA UNIVERSITY (JP) 2012-12-13 US disclosed
CN-102770404-A Process for producing ester compound having alpha, beta-unsaturated bond JX NIPPON OIL & ENERGY CORP 2012-11-07 CN disclosed
CN-102548942-A Method for producing ketone JX NIPPON OIL & ENERGY CORP 2012-07-04 CN disclosed
US-20110288340-A1 METHOD FOR MANUFACTURING KETONE JX NIPPON OIL & ENERGY CORPORATION (JP) 2011-11-24 US disclosed
CN-102224125-A Process for producing ketone NIPPON OIL CORP 2011-10-19 CN disclosed
EP-2364965-A1 KETONE MANUFACTURING METHOD JX Nippon Oil & Energy Corporation (JP) 2011-09-14 EP disclosed
WO-2011044018-A1 PLASTICIZED POLYMERIC COMPOSITIONS ISP INVESTMENTS INC. (US) 2011-04-14 WO disclosed
US-6639093-B2 Reacting benzyl chloride with hydroxybenzoic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 2003-03-20 US disclosed
EP-1249443-A2 Process for the production of hydroxybenzoic acid benzyl esters BAYER AG (DE) 2002-10-16 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-20110288340-A1 METHOD FOR MANUFACTURING KETONE CBR1, CBR3, ODC1 ELANE 4315/4885MMP1 2780/4885MMP3 3686/4885
US-20120316360-A1 PROCESS FOR PRODUCING ESTER COMPOUND HAVING a,ß-UNSATURATED BOND COASY, OXER1, ACSL1 ELANE 2555/4885MMP1 3533/4885MMP3 4362/4885
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, HACL2 ELANE 2990/4885MMP1 3317/4885MMP3 3136/4885

“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.