SCHEMBL2805648

SCHEMBL2805648

C=CCCCC(C=C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ABCC4 O15439 1/20 0.43
DDAH1 O94760 1/20 0.37
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 3/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
BLM P54132 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL31153192 0.94 MAPT (0.47) MAPTABCC4DDAH1ALDH1A1LMNA
SCHEMBL31153188 0.92 MAPT (0.50) MAPTABCC4DDAH1ALDH1A1LMNA
SCHEMBL10280871 0.92 MAPT (0.50) MAPTABCC4DDAH1ALDH1A1LMNA
SCHEMBL28680597 0.92 MAPT (0.50) MAPTABCC4DDAH1ALDH1A1LMNA
SCHEMBL29951951 0.86 ABCC4 (0.37) MAPTABCC4DDAH1TSHRSLC6A2
SCHEMBL29954791 0.86 ABCC4 (0.37) MAPTABCC4DDAH1TSHRSLC6A2
SCHEMBL9191946 0.85 HIF1A (0.36) DDAH1TSHRSLC6A2SLC6A4BLM
SCHEMBL4452846 0.84 GPR84 (0.37) MAPTABCC4TSHRSLC6A2SLC6A4
SCHEMBL3751301 0.81 SLC6A3 (0.41) LMNATSHRSLC6A2SLC6A4BLM
SCHEMBL5859613 0.79 MAPT (0.48) MAPTABCC4DDAH1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240896-A1 METHOD FOR HYDROFORMYLATION BASF SE (DE) 2010-09-23 US disclosed
US-20100240896-A1 METHOD FOR HYDROFORMYLATION BASF SE (DE) 2010-09-23 US disclosed
US-20100240896-A1 METHOD FOR HYDROFORMYLATION BASF SE (DE) 2010-09-23 US disclosed
EP-2207783-A1 METHOD FOR HYDROFORMYLATION BASF SE (DE) 2010-07-21 EP disclosed
WO-2009059963-A1 METHOD FOR HYDROFORMYLATION BASF SE (DE) 2009-05-14 WO disclosed
WO-2009059963-A1 METHOD FOR HYDROFORMYLATION BASF SE (DE) 2009-05-14 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-20100240896-A1 METHOD FOR HYDROFORMYLATION CBR3, GRHPR, PRDX2 MAPT 4883/4885ABCC4 1746/4885DDAH1 2363/4885

“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.