SCHEMBL3293258

SCHEMBL3293258

C=CCc1cccc(C(=O)OCC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.61
CYP4A11 Q02928 1/20 0.61
MEP1B Q16820 1/20 0.53
CA2 P00918 2/20 0.53
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TP53 P04637 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
SCHEMBL6660186 0.86 CYP3A4 (0.51) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL27717956 0.86 CYP4F2 (0.62) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL3642367 0.85 CYP4F2 (0.66) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL757447 0.84 LOXL2 (0.64) CYP4F2CYP4A11MAPTNPC1RAB9A
SCHEMBL20377195 0.84 CA12 (0.53) CYP4F2CYP4A11CA2NPC1KMT2A
SCHEMBL129801 0.84 CYP4F2 (0.71) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL129800 0.83 CYP4F2 (0.66) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL14415228 0.82 SLC7A5 (0.59) CYP4F2CYP4A11MAPTKMT2AMEN1
SCHEMBL5830966 0.82 CYP4F2 (0.40) CYP4F2CYP4A11MEP1BCA2MAPT
SCHEMBL28813161 0.81 MEN1 (0.48) CYP4F2CYP4A11MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
CN-110878012-A Synthetic method of E-type methyl styrene compound 南京大学 2020-03-13 CN disclosed
US-9078909-B2 Tertiary amines, medicaments containing said amines, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
EP-1819670-B1 12-ARYL PROSTAGLANDIN ANALOGS ALLERGAN INC (US) 2012-08-08 EP disclosed
EP-1819670-B1 12-ARYL PROSTAGLANDIN ANALOGS ALLERGAN INC (US) 2012-08-08 EP disclosed
EP-2265576-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES Allergan, Inc. (US) 2010-12-29 EP disclosed
US-7732443-B2 Therapeutic substituted cyclopentanes ALLERGAN, INC. 2010-06-08 US disclosed
US-7732443-B2 Therapeutic substituted cyclopentanes ALLERGAN, INC. 2010-06-08 US disclosed
US-20090239869-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. (US) 2009-09-24 US disclosed
US-20090239869-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. (US) 2009-09-24 US disclosed
US-7427685-B2 Therapeutic substituted cyclopentanes ALLERGAN, INC. (US) 2008-09-23 US disclosed
US-7427685-B2 Therapeutic substituted cyclopentanes ALLERGAN, INC. (US) 2008-09-23 US disclosed
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
EP-1819670-A1 12-ARYL PROSTAGLANDIN ANALOGS Allergan, Inc. (US) 2007-08-22 EP disclosed
US-20070129552-A1 Therapeutic Substituted Cyclopentanes ALLERGAN, INC. 2007-06-07 US disclosed
US-20070129552-A1 Therapeutic Substituted Cyclopentanes ALLERGAN, INC. 2007-06-07 US disclosed
US-20070129552-A1 Therapeutic Substituted Cyclopentanes ALLERGAN, INC. 2007-06-07 US disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2006063179-A1 12-ARYL PROSTAGLANDIN ANALOGS ALLERGAN, INC. (US) 2006-06-15 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-20070129552-A1 Therapeutic Substituted Cyclopentanes MCL1, GLI1, BID CYP4F2 2975/4885CYP4A11 1716/4885MEP1B 3860/4885
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP CYP4F2 1621/4885CYP4A11 266/4885MEP1B 421/4885
US-20090239869-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES BBOX1, PDE6D, EYA3 CYP4F2 2819/4885CYP4A11 241/4885MEP1B 4374/4885

“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.