SCHEMBL6521054

SCHEMBL6521054

CCCCOCCC(C(=O)O)=C(CC(=O)CCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
HDAC3 O15379 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
F2RL1 P55085 1/20 0.41
LMNA P02545 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL6521043 1.00 HPGD (0.46) HPGDHDAC3ALDH1A1MEN1NPC1
SCHEMBL6520706 0.85 MMP12 (0.43) HPGDHDAC3ALDH1A1MEN1NPC1
SCHEMBL6523145 0.80 TSHR (0.44) HPGDALDH1A1MEN1NPC1RAB9A
SCHEMBL6523138 0.80 TSHR (0.44) HPGDALDH1A1MEN1NPC1RAB9A
SCHEMBL9870006 0.77 TSHR (0.48) ALDH1A1MEN1KMT2APPARGTDP1
SCHEMBL9870013 0.77 TSHR (0.48) ALDH1A1MEN1KMT2APPARGTDP1
SCHEMBL6520755 0.76 ALDH1A1 (0.50) HPGDHDAC3ALDH1A1KMT2AKDM4E
SCHEMBL6520747 0.76 ALDH1A1 (0.50) HPGDHDAC3ALDH1A1KMT2AKDM4E
SCHEMBL28713178 0.76 HPGD (0.59) HPGDHDAC3ALDH1A1KDM4ETDP1
SCHEMBL16009093 0.75 HDAC3 (0.48) HPGDHDAC3ALDH1A1MEN1NPC1

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 HPGD 4110/4885HDAC3 2633/4885ALDH1A1 1254/4885

“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.