SCHEMBL3591346

SCHEMBL3591346

COC(=O)c1ccc(CC(CO)CCBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
CYP4F2 P78329 1/20 0.48
MAPT P10636 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3022618 0.87 CYP4A11 (0.58) CYP4A11LOXL2CYP4F2MAPTCA1
SCHEMBL7614719 0.83 CYP4A11 (0.50) CYP4A11LOXL2CYP4F2MAPTMEN1
SCHEMBL6000353 0.82 CYP4A11 (0.49) CYP4A11LOXL2CYP4F2MAPTCA1
SCHEMBL3595029 0.81 CYP4A11 (0.48) CYP4A11LOXL2CYP4F2MAPTCA1
SCHEMBL2294317 0.80 CYP4A11 (0.47) CYP4A11LOXL2CYP4F2MAPTCA1
SCHEMBL3600574 0.79 FOLH1 (0.51) CYP4A11LOXL2CYP4F2MAPTCA1
SCHEMBL8235320 0.79 CYP4A11 (0.49) CYP4A11LOXL2CYP4F2MAPTCA1
SCHEMBL2160898 0.78 CYP4A11 (0.63) CYP4A11LOXL2CYP4F2MAPTCA1
SCHEMBL3596235 0.78 LOXL2 (0.47) CYP4A11LOXL2CYP4F2MAPTCA1
SCHEMBL2294490 0.78 CYP4A11 (0.48) CYP4A11LOXL2CYP4F2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 EP disclosed
EP-1216223-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019778-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 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 (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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA CYP4A11 716/4885LOXL2 3827/4885CYP4F2 361/4885

“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.