SCHEMBL13855938

SCHEMBL13855938

CCCCC(CC)COC(=O)/C(=C\C=C\N1CCCCC1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP3A4 P08684 4/20 0.43
▸ CA2 P00918 2/20 0.43
▸ TSHR P16473 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ RECQL P46063 2/20 0.37
▸ GLO1 Q04760 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MMP14 P50281 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
SCHEMBL19240032 0.95 ALDH1A1 (0.47) ALDH1A1GAACYP3A4CA2TSHR
SCHEMBL4544789 0.91 RECQL (0.46) ALDH1A1GAACYP3A4CA2TSHR
SCHEMBL13609918 0.80 ALDH1A1 (0.56) ALDH1A1GAACYP3A4TSHRLMNA
SCHEMBL14095054 0.77 ALDH1A1 (0.48) ALDH1A1GAACYP3A4CA2TSHR
SCHEMBL12101256 0.77 ALDH1A1 (0.48) ALDH1A1GAACYP3A4CA2TSHR
SCHEMBL14768457 0.77 ALDH1A1 (0.48) ALDH1A1GAACYP3A4CA2TSHR
SCHEMBL11038766 0.76 ALDH1A1 (0.54) ALDH1A1GAACYP3A4CA2TSHR
SCHEMBL4544744 0.74 TSHR (0.50) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL12758245 0.74 TSHR (0.50) ALDH1A1CYP3A4CA2TSHRTDP1
SCHEMBL12957832 0.73 TSHR (0.46) ALDH1A1CYP3A4CA2TSHRTDP1

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-20090130033-A1 Dendrimer-Aminobuadiene-Based Uv Screens FUJI PHOTO FILM B.V. (NL) 2009-05-21 — — 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-20090130033-A1 Dendrimer-Aminobuadiene-Based Uv Screens UROD, AAAS, ALAD ALDH1A1 590/4885GAA 1413/4885CYP3A4 2499/4885

“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.

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