SCHEMBL6520697

SCHEMBL6520697

C=C(C(=O)O)C(CCOCCCC)(CC(=O)CCc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
HDAC3 O15379 1/20 0.37
AKR1C3 P42330 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGES O14684 3/20 0.36
ALOX5 P09917 3/20 0.36
PPARG P37231 2/20 0.36
PLA2G4B P0C869 1/20 0.36
FFAR1 O14842 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL6516136 0.82 TSHR (0.39) HPGDTSHRRECQLALDH1A1
SCHEMBL6515093 0.81 TSHR (0.44) TSHRRECQLALDH1A1
SCHEMBL6518671 0.78 HAO1 (0.30)
SCHEMBL6522438 0.76 SLC13A5 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL6513757 0.76 LMNA (0.41) ALDH1A1NPC1RAB9AALOX5
SCHEMBL6520732 0.76 RARB (0.38) TSHRRECQLMEN1NPC1RAB9A
SCHEMBL6523793 0.76 KDM4E (0.38) TSHRRECQLALDH1A1MEN1NPC1
SCHEMBL6515529 0.75 THRB (0.32)
SCHEMBL6523959 0.74 TDP1 (0.35) TSHRALDH1A1MEN1NPC1RAB9A
SCHEMBL16009093 0.74 HDAC3 (0.48) HPGDHDAC3TSHRALDH1A1MEN1

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 2633/4885AKR1C3 2561/4885

“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.