SCHEMBL3606150

SCHEMBL3606150

O=Cc1ccccc1OCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 5/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
SRC P12931 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
SGMS2 Q8NHU3 1/20 0.41
MEN1 O00255 5/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 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
SCHEMBL2889457 0.85 SLC6A2 (0.43) KMT2AL3MBTL1TDP1HRH3PTGDR2
SCHEMBL11614404 0.82 ALDH1A1 (0.70) KMT2AL3MBTL1TDP1ALDH1A1HTT
SCHEMBL433401 0.77 CCNB2 (0.72) KMT2AL3MBTL1TDP1ALDH1A1HTT
SCHEMBL29537861 0.77 CCNB2 (0.72) KMT2AL3MBTL1TDP1ALDH1A1HTT
SCHEMBL3590630 0.77 PTGER1 (0.48) KMT2ATDP1CCNB2CDK1CDK4
SCHEMBL3590625 0.77 PTGER1 (0.48) KMT2ATDP1CCNB2CDK1CDK4
SCHEMBL13009599 0.77 EPHX1 (0.45) KMT2AALDH1A1HRH3PTGDR2SGMS2
SCHEMBL23395754 0.76 ALDH1A1 (0.61) KMT2AL3MBTL1TDP1ALDH1A1HTT
SCHEMBL5628914 0.76 ALDH1A1 (0.61) KMT2AL3MBTL1TDP1ALDH1A1HTT
Fluoride SCHEMBL27920182 0.76 CCNB2 (0.70) KMT2AL3MBTL1TDP1ALDH1A1HTT

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 KMT2A 3707/4885L3MBTL1 4835/4885TDP1 2697/4885

“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.