SCHEMBL2603390

SCHEMBL2603390

COC(=O)CCCCOc1ccc(C(C)=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.74
GAA P10253 1/20 0.72
MAPT P10636 5/20 0.54
ALDH1A1 P00352 1/20 0.54
MAOB P27338 2/20 0.52
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PPARA Q07869 1/20 0.49
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 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
SCHEMBL28693964 0.98 GAA (0.75) L3MBTL1GAAMAPTALDH1A1MAOB
SCHEMBL28706802 0.98 GAA (0.75) L3MBTL1GAAMAPTALDH1A1MAOB
SCHEMBL28706034 0.98 GAA (0.75) L3MBTL1GAAMAPTALDH1A1MAOB
SCHEMBL11456703 0.95 L3MBTL1 (0.71) L3MBTL1GAAMAPTALDH1A1MAOB
SCHEMBL14385137 0.90 L3MBTL1 (0.68) L3MBTL1GAAMAPTALDH1A1MAOB
SCHEMBL4275826 0.88 HDAC1 (0.56) L3MBTL1GAAMAPTALDH1A1LMNA
SCHEMBL4211416 0.87 TSHR (0.64) L3MBTL1POLBHTT
SCHEMBL5187570 0.87 MAPT (0.72) L3MBTL1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL18868405 0.86 L3MBTL1 (1.00) L3MBTL1GAAMAPTALDH1A1MAOB
SCHEMBL9112440 0.86 L3MBTL1 (0.53) L3MBTL1GAAMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075187-B Carbonyl pyrazole antitumor compound as well as preparation method and application thereof 山东大学 2023-05-12 CN disclosed
CN-114075187-A Carbonyl pyrazole anti-tumor compound and preparation method and application thereof 山东大学 2022-02-22 CN disclosed
US-9644099-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2017-05-09 US disclosed
US-9644099-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2017-05-09 US disclosed
US-20160355682-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE Life Technologies Corporation 2016-12-08 US disclosed
US-20150050685-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE LIFE TECHNOLOGIES CORP (US) 2015-02-19 US disclosed
US-8822695-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2014-09-02 US disclosed
US-20130273569-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE LIFE TECHNOLOGIES CORP (US) 2013-10-17 US disclosed
US-8415477-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2013-04-09 US disclosed
US-8158801-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2012-04-17 US disclosed
US-8158801-B2 Violet laser excitable dyes and their method of use Life Technologies Corporation (US) 2012-04-17 US disclosed
US-20120004397-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-01-05 US disclosed
US-20120004397-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-01-05 US disclosed
US-20070077549-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2007-04-05 US disclosed
WO-2000026262-A2 FUNCTIONALIZED POLYMERIC SUBSTRATES FOR BINDING MOLECULAR MOIETIES MITOKOR (US) 2000-05-11 WO 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-20130273569-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE KLK3, ALDH1A2, SPR L3MBTL1 1880/4885GAA 2039/4885MAPT 378/4885
US-20070077549-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE KLK3, ALDH1A2, SPR L3MBTL1 1880/4885GAA 2039/4885MAPT 378/4885
US-20120004397-A1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE KLK3, ALDH1A2, SPR L3MBTL1 1880/4885GAA 2039/4885MAPT 378/4885

“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.