SCHEMBL3593772

SCHEMBL3593772

CCOC(=O)CCCCC(CBr)Cc1ccc(C(=O)OCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ESR1 P03372 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ESR2 Q92731 1/20 0.42
CA14 Q9ULX7 1/20 0.42
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
SLC22A2 O15244 1/20 0.41
TMPRSS2 O15393 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
F12 P00748 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41

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
SCHEMBL9442258 0.89 L3MBTL1 (0.44) L3MBTL1CA12CA1CA2ESR1
SCHEMBL9442220 0.81 FOLH1 (0.48) L3MBTL1CA12CA1CA2ESR1
SCHEMBL13443439 0.81 SMN1; SMN2 (0.61) EPHX2MEN1KMT2ASMN1; SMN2HTT
SCHEMBL3594773 0.81 SMN1; SMN2 (0.44) L3MBTL1CA12CA1CA2ESR1
SCHEMBL3681024 0.80 CYP4F2 (0.47) L3MBTL1CA12CA1CA2ESR1
SCHEMBL13443295 0.80 DHFR (0.40) L3MBTL1EPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL13443297 0.80 DHFR (0.40) L3MBTL1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13443298 0.79 DHFR (0.40) L3MBTL1EPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL13443296 0.79 LTB4R (0.40) L3MBTL1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13443442 0.77 CYP4F2 (0.43) EPHX2CYP1A2CYP2D6LMNACYP3A4

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 3 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

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 L3MBTL1 4835/4885CA12 980/4885CA1 1002/4885

“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.