SCHEMBL3530452

SCHEMBL3530452

C1=C2CCCNN=C2CCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL28958926 0.90 TYMP (0.33) TYMPPDE3BPDE3A
SCHEMBL28555095 0.89
SCHEMBL1086664 0.89 ELANE (0.34) TYMP
SCHEMBL5077 0.89 ELANE (0.34) TYMP
SCHEMBL37842 0.89 ELANE (0.34) TYMP
SCHEMBL467389 0.89 ELANE (0.34) TYMP
SCHEMBL467388 0.89 ELANE (0.34) TYMP
SCHEMBL1086667 0.89 ELANE (0.34) TYMP
SCHEMBL5078 0.89 ELANE (0.34) TYMP
SCHEMBL10564949 0.89 ELANE (0.34) TYMP

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-7820838-B2 Method for total synthesis of ecteinascidins and intermediate compounds thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-10-26 US disclosed
US-7807833-B2 Method for total synthesis of ecteinascidins and intermediate compounds thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-10-05 US disclosed
US-20090198051-A1 Method For Total Synthesis Of Ecteinascidins And Intermediate Compounds Thereof FUKUYAMA TOHRU 2009-08-06 US disclosed
US-20090036673-A1 Method For Total Synthesis Of Ecteinascidins And Intermediate Compounds Thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-02-05 US disclosed
US-7417145-B2 Process for total synthesis of ecteinascidins and intermediates therefor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-08-26 US disclosed
EP-1812381-A1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO KABUSHIKI KAISHA (JP) 2007-08-01 EP disclosed
WO-2006049264-A1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO K.K. (JP) 2006-05-11 WO disclosed
US-20050043308-A1 Process for total synthesis of ecteinascidins and intermediates therefor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-02-24 US disclosed
EP-1471068-A1 PROCESS FOR TOTAL SYNTHESIS OF ECTEINASCIDINS AND INTERMEDIATES THEREFOR Japan Science and Technology Agency (JP) 2004-10-27 EP disclosed
EP-1317691-A2 PHOTOSENSITIVE COMPOSITION, CURED ARTICLE THEREOF, AND PRINTED CIRCUIT BOARD USING THE SAME Showa Denko K.K. (JP) 2003-06-11 EP disclosed
WO-2002023273-A2 PHOTOSENSITIVE COMPOSITION, CURED ARTICLE THEREOF, AND PRINTED CIRCUIT BOARD USING THE SAME SHOWA DENKO K.K. (JP) 2002-03-21 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-20050043308-A1 Process for total synthesis of ecteinascidins and intermediates therefor TKFC, CYP4F2, ERLIN2 TYMP 373/4885PDE3B 4510/4885PDE3A 4598/4885
US-20090036673-A1 Method For Total Synthesis Of Ecteinascidins And Intermediate Compounds Thereof ERLIN2, ETF1, TXN2 TYMP 356/4885PDE3B 3967/4885PDE3A 4140/4885
US-20090198051-A1 Method For Total Synthesis Of Ecteinascidins And Intermediate Compounds Thereof ERLIN2, ETF1, TXN2 TYMP 356/4885PDE3B 3967/4885PDE3A 4140/4885

“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.