SCHEMBL385687

SCHEMBL385687

Cc1ccc2c(c1)C=[C]C2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.36
ACHE P22303 1/20 0.36
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
CYP19A1 P11511 2/20 0.31
CYP11B2 P19099 2/20 0.31
HTR5A P47898 2/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
ADORA1 P30542 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL7794531 0.83 CYP1A2 (0.33) METAP1ACHEPARP1PARP10CYP1A2
SCHEMBL386721 0.74 PBRM1 (0.35) MAOAMAOBCYP3A4
SCHEMBL387117 0.74 ADRA2A (0.35) ACHEPARP1PARP10HTR5A
SCHEMBL385406 0.74 CHRNA7 (0.41) METAP1ACHECYP1A2CYP2A6CYP19A1
SCHEMBL7790691 0.69 ALDH1A1 (0.37) TP53TDP1TRPA1
SCHEMBL5745424 0.68 METAP1 (0.35) METAP1ACHEPARP1PARP10CYP1A2
SCHEMBL8343541 0.65 TRPA1 (0.34) PARP1MAOBTRPA1
SCHEMBL20528826 0.65 TRPA1 (0.34) PARP1MAOBTRPA1
SCHEMBL29633503 0.64 METAP1 (0.57) METAP1ACHEPARP1PARP10CYP1A2
SCHEMBL546147 0.64 METAP1 (0.57) METAP1ACHEPARP1PARP10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
WO-2005105864-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-10 WO disclosed
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 EP disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP disclosed
EP-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 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 (9 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A METAP1 906/4885ACHE 3707/4885PARP1 2173/4885
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT METAP1 997/4885ACHE 4099/4885PARP1 1595/4885
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization PYM1, ZNF207, POLL METAP1 1573/4885ACHE 3565/4885PARP1 898/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A METAP1 906/4885ACHE 3707/4885PARP1 2173/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 METAP1 310/4885ACHE 2773/4885PARP1 4552/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB METAP1 1156/4885ACHE 4177/4885PARP1 2444/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 METAP1 1089/4885ACHE 3817/4885PARP1 2105/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 METAP1 1352/4885ACHE 2031/4885PARP1 2168/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A METAP1 3225/4885ACHE 3384/4885PARP1 1422/4885

“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.