SCHEMBL449625

SCHEMBL449625

O=C(/C=C/c1ccc(OCCCCc2ccccc2)cc1)NCCO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 2/20 0.66
MEN1 O00255 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.62
RAB9A P51151 1/20 0.62
MMP1 P03956 2/20 0.59
MMP2 P08253 2/20 0.59
MMP9 P14780 2/20 0.59
POLB P06746 1/20 0.59
RECQL P46063 1/20 0.59
S1PR1 P21453 3/20 0.58
S1PR3 Q99500 2/20 0.57
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 2/20 0.56
NLRP3 Q96P20 1/20 0.56
NDUFS8 O00217 1/20 0.55
COXFA4 O00483 1/20 0.55
NDUFAB1 O14561 1/20 0.55

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
SCHEMBL449626 1.00 LMNA (0.66) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4657743 0.90 S1PR1 (0.69) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4657740 0.90 S1PR1 (0.69) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4657194 0.87 LMNA (0.61) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4657195 0.87 LMNA (0.61) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL451121 0.82 S1PR1 (0.61) LMNAKMT2AALDH1A1MEN1S1PR1
SCHEMBL451122 0.82 S1PR1 (0.61) LMNAKMT2AALDH1A1MEN1S1PR1
SCHEMBL8380557 0.81 SMN1; SMN2 (0.62) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL17117366 0.80 MMP1 (0.80) LMNAKMT2AALDH1A1MEN1MMP1
SCHEMBL7377120 0.80 MMP1 (0.80) LMNAKMT2AALDH1A1MEN1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US claimed
EP-1219605-B1 UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-10 EP claimed
EP-1336407-B1 COMPOSITION CONTAINING AN ANGIOTENSIN II RECEPTOR ANTAGONIST AND A DIURETIC AND ITS USE FOR THE TREATMENT OF HYPERTENSION SANKYO CO (JP) 2006-05-03 EP claimed
EP-1595540-A1 Composition containing an angiotensin II receptor antagonist and a diuretic and its use for the treatment of hypertension Sankyo Company Limited (JP) 2005-11-16 EP claimed
US-20050113367-A1 Pharmaceutical composition SANKYO COMPANY, LIMITED (JP) 2005-05-26 US claimed
US-6878703-B2 Pharmaceutical composition SANKYO COMPANY, LIMITED (JP) 2005-04-12 US claimed
US-20040002529-A1 Pharmaceutical composition SANKYO COMPANY, LIMITED (JP) 2004-01-01 US claimed
EP-1336407-A1 MEDICINAL COMPOSITIONS Sankyo Company, Limited (JP) 2003-08-20 EP claimed
EP-1087977-B1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP claimed
EP-0723965-B1 NOVEL CEPHALOSPORIN DERIVATIVES MEIJI SEIKA KAISHA (JP) 2001-05-30 EP claimed
US-5827845-A BACTERICIDES MEIJI SEIKA KAISHA, LTD. (JP) 1998-10-27 US claimed
EP-0723965-A1 NOVEL CEPHALOSPORIN DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 1996-07-31 EP claimed
EP-0186586-B1 CEPHEM COMPOUNDS AND THE PRODUCTION THEREOF MEIJI SEIKA KAISHA LTD. (JP) 1990-09-26 EP claimed
EP-0355821-A2 A process for preparing cephem prodrug esters Bristol-Myers Squibb Company (US) 1990-02-28 EP claimed
US-4687769-A ANTIBIOTICS MEIJI SEIKA KAISHA, LTD. (JP) 1987-08-18 US claimed
US-4613595-A PENCILLIN ANTIBIOTICS SANKYO COMPANY LIMITED (JP) 1986-09-23 US claimed
EP-0186586-A2 Cephem compounds and the production thereof MEIJI SEIKA KAISHA LTD. (JP) 1986-07-02 EP claimed
JP-63041475-A None JP disclosed
EP-0039477-A1 Use of 1,3-Dioxolen-2-one derivatives KANEBO, LTD. (JP) 1981-11-11 EP disclosed
EP-0039086-A2 Novel ampicillin esters and production thereof KANEBO, LTD. (JP) 1981-11-04 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 (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-20050113367-A1 Pharmaceutical composition AGTR2, AGTR1, REN LMNA 3440/4885KMT2A 3920/4885ALDH1A1 559/4885
US-20040002529-A1 Pharmaceutical composition AGTR2, AGTR1, REN LMNA 2646/4885KMT2A 3457/4885ALDH1A1 800/4885

“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.