SCHEMBL5532744

SCHEMBL5532744

C=C(C)COC(CCCC)CCCc1c(C(=O)O)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC37A4 O43826 1/20 0.35
PPARA Q07869 3/20 0.35
PPARG P37231 2/20 0.35
RARB P10826 3/20 0.34
PLK1 P53350 5/20 0.34
ALDH1A1 P00352 1/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
KAT8 Q9H7Z6 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL20913253 0.95 PPARA (0.39) SLC37A4PPARAPPARGRARBPLK1
SCHEMBL3270892 0.92 SLC37A4 (0.32) SLC37A4PPARAPPARGRARBPLK1
SCHEMBL5532749 0.84 SLC37A4 (0.35) SLC37A4PPARAPPARGRARBALDH1A1
SCHEMBL20913248 0.80 ALDH1A1 (0.40) SLC37A4PPARAPPARGRARBALDH1A1
SCHEMBL3270897 0.78 SLC37A4 (0.32) SLC37A4ALDH1A1MEN1KMT2A
Methacrylic Acid SCHEMBL28189910 0.77 GABRP (0.42) SLC37A4PPARAPPARGRARBALDH1A1
SCHEMBL5072798 0.76 GABRP (0.49) SLC37A4PPARAPPARGRARBALDH1A1
SCHEMBL5523394 0.75 PDE4A (0.34) PPARAPPARGRARBPLK1
SCHEMBL1264820 0.74 PPARA (0.54) PPARAPPARGRARBPLK1ALDH1A1
SCHEMBL11146346 0.74 PPARA (0.54) PPARAPPARGRARBPLK1ALDH1A1

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-7304096-B2 Highly functional dental adhesive composition KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY AND DENTKIST, INC. (KR) 2007-12-04 US disclosed
US-20050277706-A1 Highly functional dental adhesive composition KOREAN INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-12-15 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-20050277706-A1 Highly functional dental adhesive composition CD44, HBG2, HBG1 SLC37A4 4124/4885PPARA 851/4885PPARG 779/4885

“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.