SCHEMBL3595029

SCHEMBL3595029

COC(=O)CCCCC(CO)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.48
CYP4F2 P78329 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
AR P10275 1/20 0.38
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL6000353 0.96 CYP4A11 (0.49) CYP4A11CYP4F2LOXL2MAPTGAA
SCHEMBL7614719 0.86 CYP4A11 (0.50) CYP4A11CYP4F2LOXL2MAPTALDH1A1
SCHEMBL3599473 0.83 CA1 (0.48) CYP4A11MAPTGAAKDM4EALDH1A1
SCHEMBL2294317 0.83 CYP4A11 (0.47) CYP4A11CYP4F2LOXL2MAPTGAA
SCHEMBL9442258 0.82 L3MBTL1 (0.44) CYP4A11CYP4F2MAPTGAARAB9A
SCHEMBL3022618 0.82 CYP4A11 (0.58) CYP4A11CYP4F2LOXL2MAPTGAA
SCHEMBL9442211 0.82 FOLH1 (0.53) CYP4A11CYP4F2LOXL2MAPTGAA
SCHEMBL13443419 0.81 RAB9A (0.43) MAPTRAB9APOLBCA1CA2
SCHEMBL3591346 0.81 CYP4A11 (0.49) CYP4A11CYP4F2LOXL2MAPTGAA
SCHEMBL3594770 0.81 CYP4A11 (0.43) CYP4A11CYP4F2LOXL2MAPTGAA

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 8 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
US-5221760-A Intermediates, leukotriene antagonists BAYER AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
US-5159097-A An arylphosphorous compound as chemical intermediate BAYER AKTIENGESELLSCHAFT (DE) 1992-10-27 US disclosed
EP-0341551-B1 ALKENOIC ACID DERIVATIVES BAYER AG (DE) 1992-04-01 EP disclosed
US-5041638-A Leucotriene antagonist; treatment of respiratory system disorders, cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0341551-A1 Alkenoic acid derivatives BAYER AG (DE) 1989-11-15 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA CYP4A11 716/4885CYP4F2 361/4885LOXL2 3827/4885

“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.