SCHEMBL5438951

SCHEMBL5438951

CC(C)CCC1C(=O)NC(=O)N(CCC(C)C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
DAO P14920 1/20 0.33
SORT1 Q99523 3/20 0.33
AGER Q15109 1/20 0.32
CCKBR P32239 1/20 0.32
ALDH1A1 P00352 2/20 0.30
TSHR P16473 2/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL11099954 0.75 KDM4E (0.35) ALDH1A1KDM4EMAPTLMNA
SCHEMBL9363498 0.74 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10KDM4EGLA
SCHEMBL7833467 0.72 SLC25A5 (0.39) GAADAOSORT1CCKBRALDH1A1
SCHEMBL29829226 0.71 ALDH1A1 (0.37) GAAAGERALDH1A1TSHRHSD17B10
SCHEMBL1427035 0.69 LMNA (0.37) GAAALDH1A1KDM4EGLAMAPT
SCHEMBL20607282 0.66 SMN1; SMN2 (0.41) GAAALDH1A1POLBKDM4EMAPT
SCHEMBL5083040 0.65
SCHEMBL2672871 0.65 PDE5A (0.45) GAADAOTSHRHTTLMNA
SCHEMBL6327634 0.64 PTGS1 (0.42) ALDH1A1KDM4EMAPT
SCHEMBL7484676 0.63 SORT1 (0.39) DAOSORT1CCKBRALDH1A1TSHR

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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed

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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 GAA 4054/4885DAO 161/4885SORT1 4280/4885

“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.