SCHEMBL726410

SCHEMBL726410

COc1c(C)[c]ccc1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 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
SCHEMBL315821 0.79 ACHE (0.39) KDM4EALDH1A1MAPK1SMN1; SMN2ACHE
SCHEMBL8196392 0.79 KDM4E (0.32) KDM4EALDH1A1MAPK1SMN1; SMN2ACHE
SCHEMBL7597084 0.79
SCHEMBL721990 0.77 MAOA (0.32) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL8012068 0.77 KDM4E (0.31) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL8682848 0.77 ALDH1A1 (0.38) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL13835731 0.77 CA2 (0.35) KDM4EALDH1A1MAPK1SMN1; SMN2ACHE
SCHEMBL5325880 0.77 KDM4E (0.31) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL8189611 0.73
SCHEMBL348819 0.71 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4763771-B2 2011-08-31 JP claimed
EP-1861352-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-PHENYLPROPIONIC ACID DERIVATIVES AND FOLLOW-ON PRODUCTS OF THE LATTER BASF SE (DE) 2009-12-09 EP claimed
US-20080171892-A1 Method for Producing Optically Active 3-Phenylpropionic Acid Derivatives and Follow-On Products of the Latter BASF AKTIENGESELLSCHAFT (DE) 2008-07-17 US claimed
EP-1861352-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-PHENYLPROPIONIC ACID DERIVATIVES AND FOLLOW-ON PRODUCTS OF THE LATTER BASF AKTIENGESELLSCHAFT (DE) 2007-12-05 EP claimed
WO-2006097314-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-PHENYLPROPIONIC ACID DERIVATIVES AND FOLLOW-ON PRODUCTS OF THE LATTER BASF AKTIENGESELLSCHAFT (DE) 2006-09-21 WO claimed
EP-0969829-A4 SYNTHETIC TECHNIQUES AND INTERMEDIATES FOR POLYHYDROXY, DIENYLLACTONES AND MIMICS THEREOF UNIV PENNSYLVANIA (US) 2002-06-12 EP claimed
EP-0969829-A1 SYNTHETIC TECHNIQUES AND INTERMEDIATES FOR POLYHYDROXY, DIENYLLACTONES AND MIMICS THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-01-12 EP claimed
WO-1998024429-A1 SYNTHETIC TECHNIQUES AND INTERMEDIATES FOR POLYHYDROXY, DIENYLLACTONES AND MIMICS THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-06-11 WO claimed
CN-116438214-A Sealing material for organic EL display element, cured product thereof, and organic EL display device 三井化学株式会社 2023-07-14 CN disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
CN-104326952-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
CN-103180300-B Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-10-07 CN disclosed
EP-0007468-B1 COMPOSITIONS PHOTODURCISSABLES CIBA-GEIGY AG (CH) 1982-04-07 EP disclosed
US-4284485-A STABILIZED WITH A POLYALKYLPIPERIDINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1981-08-18 US disclosed
US-4279720-A PHENYLGLYOXYLATE PHOTOINITIATOR WITH POLYALKYLPIPERIDINE STABILIZER CIBA-GEIGY CORPORATION (US) 1981-07-21 US disclosed
EP-0007059-B1 PHOTOCURABLE COMPOSITIONS CIBA-GEIGY AG (CH) 1981-04-15 EP disclosed
EP-0007468-A1 Compositions photodurcissables CIBA-GEIGY AG (CH) 1980-02-06 EP disclosed
EP-0007059-A1 Photocurable compositions CIBA-GEIGY AG (CH) 1980-01-23 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 (1 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-20080171892-A1 Method for Producing Optically Active 3-Phenylpropionic Acid Derivatives and Follow-On Products of the Latter ALDH1A2, ALDH1A3, PCCA KDM4E 4758/4885ALDH1A1 28/4885MAPK1 1663/4885

“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.