SCHEMBL4390645

SCHEMBL4390645

C/C(=C/C(=O)OC(=O)/C=C\C=C/C(=O)O)C(=O)OC(=O)/C=C\C=C/C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 2/20 0.36
RECQL P46063 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HCAR2 Q8TDS4 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL2408879 0.89 HCAR2 (0.45) ALDH1A1ALOX15RECQLHSD17B10HCAR2
SCHEMBL16504472 0.79 TSHR (0.44) ALDH1A1ALOX15RECQLHSD17B10HCAR2
SCHEMBL9297271 0.79 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL5670909 0.78 HCAR2 (0.39) ALDH1A1HCAR2TDP1KDM4EMAPT
SCHEMBL27961336 0.78 HTT (0.32) ALDH1A1HCAR2
SCHEMBL5804761 0.78 HTT (0.32) ALDH1A1HCAR2
SCHEMBL27531631 0.78 HTT (0.32) ALDH1A1HCAR2
SCHEMBL21114351 0.78 MEN1 (0.31)
SCHEMBL6745230 0.76 KEAP1 (0.30) HCAR2
SCHEMBL28247771 0.74 MEN1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS HENKEL AG & CO. KGAA (DE) 2009-12-10 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-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS ASS1, SRM, COL1A1 ALDH1A1 27/4885ALOX15 791/4885RECQL 3440/4885

“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.