SCHEMBL5885751

SCHEMBL5885751

CCCCOC(=O)CC(=O)CC(O)(CCC)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
CTSK P43235 2/20 0.41
MAPT P10636 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL5808973 0.89 PPID (0.45) TDP1ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL5808979 0.89 PPID (0.45) TDP1ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL5795342 0.89 PPID (0.45) TDP1ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL5809381 0.86 CA12 (0.40) NPC1RAB9ATDP1ALDH1A1GAA
SCHEMBL5794195 0.86 CA12 (0.40) NPC1RAB9ATDP1ALDH1A1GAA
SCHEMBL5811663 0.86 CA12 (0.40) NPC1RAB9ATDP1ALDH1A1GAA
SCHEMBL6454131 0.83 CA12 (0.42) NPC1RAB9ACTSKMAPT
SCHEMBL4075367 0.82 MMP12 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4075370 0.82 MMP12 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6560435 0.79 CA12 (0.43) NPC1RAB9ATDP1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041845-B2 Process for preparing optically active dihydropyrones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-09 US disclosed
US-20040133032-A1 Process for preparing optically active dihydropyrones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 US 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-20040133032-A1 Process for preparing optically active dihydropyrones CYP3A5, CYP3A43, CYP3A4 MEN1 2701/4885KMT2A 3236/4885NPC1 2645/4885

“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.