SCHEMBL5085228

SCHEMBL5085228

C=C(CC)c1ccc(OC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.63
MAPT P10636 2/20 0.52
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GSK3B P49841 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL2263489 0.83 NR1I2 (0.42) NR1I2MAPTMAOAMAOBALDH1A1
SCHEMBL10409089 0.83 KDM4E (0.56) NR1I2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL14407542 0.83 NR1I2 (0.52) NR1I2MAPTMAOAMAOBCES2
SCHEMBL13962133 0.81 CA1 (0.50) NR1I2MAPTMAOAMAOBCA1
SCHEMBL16795750 0.81 MAPT (0.50) NR1I2MAPTMAOAMAOBCES2
SCHEMBL18911078 0.81 NQO1 (0.58) ALDH1A1PRSS1PRSS2PRSS3PARP10
SCHEMBL989934 0.81 GSK3B (0.60) NR1I2MAPTMAOAMAOBCES2
SCHEMBL8552180 0.81 LMNA (0.51) NR1I2MAPTMAOAMAOBCES2
SCHEMBL9336832 0.80 NR1I2 (0.50) NR1I2MAPTMAOAMAOBCES2
SCHEMBL6693430 0.78 ALDH1A1 (0.48) NR1I2ALDH1A1SMN1; SMN2KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3434668-B1 INDOLO-SUBSTITUTED-PIPERIDINE COMPOUNDS AS ESTROGEN RECEPTOR DEGRADING AGENT LUOXIN PHARMACEUTICAL SHANGHAI CO LTD (CN) 2020-08-26 EP disclosed
CN-103698456-B Online detection method for pyrolysis gas-phase components of tobacco additive or tobacco material SHANGHAI TOBACCO GROUP CO LTD 2015-07-15 CN disclosed
CN-103698456-A Online detection method for pyrolysis gas-phase components of tobacco additive or tobacco material SHANGHAI TOBACCO GROUP CO LTD 2014-04-02 CN disclosed
US-20110275826-A1 CHIRAL LIGANDS SOLVIAS AG (CH) 2011-11-10 US disclosed
EP-1432416-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER ITALIA SRL (IT) 2011-01-19 EP disclosed
WO-2010072746-A1 CHIRAL LIGANDS SOLVIAS AG (CH) 2010-07-01 WO disclosed
EP-2202236-A1 Chiral ligands Solvias AG (CH) 2010-06-30 EP disclosed
EP-1658298-B1 PHOSPHORUS-CONTAINING IMIDAZOLINES AND METAL COMPLEXES THEREOF SOLVIAS AG (CH) 2008-03-26 EP disclosed
EP-1404650-B1 CARBOXAMIDE-SUBSTITUTED PHENYLUREA DERIVATIVES AND METHOD FOR PRODUCTION THEREOF AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-02-13 EP disclosed
US-20070010493-A1 Phospinite-imidazolines and metal complexes thereof SOLVIAS AG (CH) 2007-01-11 US disclosed
EP-1658298-A2 NOVEL ORGANIC COMPOUNDS AND METAL COMPLEXES Solvias AG (CH) 2006-05-24 EP disclosed
EP-1191030-B1 Phosphinite-oxazolines and metal complexes SOLVIAS AG (CH) 2005-05-04 EP disclosed
WO-2005021562-A2 PHOSPINITE-IMIDAZOLINES AND METAL COMPLEXES THEREOF SOLVIAS AG (CH) 2005-03-10 WO disclosed
US-6632954-B2 Chelate compounds SOLVIAS AG (CH) 2003-10-14 US disclosed
US-6498256-B2 CATALYSTS FOR ASYMMETRIC ADDITION REACTIONS, FOR EXAMPLE OF HYDROGEN, TO PROCHIRAL UNSATURATED ORGANIC COMPOUNDS. SOLVIAS AG (CH) 2002-12-24 US disclosed
US-20020128486-A1 Phosphinite-oxazolines and metal complexes PFALTZ ANDREAS (CH) 2002-09-12 US disclosed
US-20020062027-A1 Phosphinite-oxazolines and metal complexes SOLVIAS AG (CH) 2002-05-23 US disclosed
EP-1191030-A2 Phosphinite-oxazolines and metal complexes Solvias AG (CH) 2002-03-27 EP disclosed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 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 (4 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-20110275826-A1 CHIRAL LIGANDS C3AR1, C1S, C1R NR1I2 579/4885MAPT 4823/4885MAOA 2207/4885
US-20020062027-A1 Phosphinite-oxazolines and metal complexes OXER1, OXGR1, H1-4 NR1I2 38/4885MAPT 4862/4885MAOA 2752/4885
US-20070010493-A1 Phospinite-imidazolines and metal complexes thereof H1-0, H1-2, H1-3 NR1I2 137/4885MAPT 4844/4885MAOA 2871/4885
US-20020128486-A1 Phosphinite-oxazolines and metal complexes OXER1, OXGR1, H1-4 NR1I2 38/4885MAPT 4862/4885MAOA 2752/4885

“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.