SCHEMBL5523401

SCHEMBL5523401

C=C(C)C(=O)OCCCCc1c(C(=O)O)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 3/20 0.45
THRB P10828 1/20 0.40
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCD Q05655 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL29991282 1.00 POLB (0.51) POLBAPEX1HTTTDP1TSHR
SCHEMBL1269728 0.90 POLB (0.45) POLBAPEX1HTTTDP1TSHR
SCHEMBL11341100 0.90 POLB (0.50) POLBAPEX1HTTTDP1TSHR
SCHEMBL4653236 0.89 TDP1 (0.38) POLBAPEX1HTTTDP1TSHR
SCHEMBL8150612 0.87 TDP1 (0.54) POLBAPEX1HTTTDP1TSHR
SCHEMBL8144161 0.87 POLB (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL8144949 0.87 POLB (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL27542648 0.84 HTT (0.36) POLBAPEX1HTTTDP1TSHR
SCHEMBL4578717 0.83 POLB (0.48) POLBAPEX1HTTTDP1TSHR
SCHEMBL4578579 0.82 POLB (0.50) POLBAPEX1HTTTDP1TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115674-B2 Dental self-curing resin cement compositions DENTKIST, INC. (KR) 2006-10-03 US claimed
US-20050049326-A1 Dental self-curing resin cement compositions DENTKIST, INC. (KR) 2005-03-03 US claimed
US-7304096-B2 Highly functional dental adhesive composition KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY AND DENTKIST, INC. (KR) 2007-12-04 US disclosed
US-7115674-B2 Dental self-curing resin cement compositions DENTKIST, INC. (KR) 2006-10-03 US disclosed
US-20050277706-A1 Highly functional dental adhesive composition KOREAN INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-12-15 US disclosed
US-20050049326-A1 Dental self-curing resin cement compositions DENTKIST, INC. (KR) 2005-03-03 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 POLB 234/4885APEX1 1128/4885HTT 911/4885

“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.