SCHEMBL6702996

SCHEMBL6702996

CC(=O)C(O)CC(O)CO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 1/20 0.40
OR51E2 Q9H255 1/20 0.38
THRB P10828 1/20 0.33
KISS1R Q969F8 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TGFBR1 P36897 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
SCHEMBL10599830 0.79 KISS1R (0.50) LMNAALDH1A1OR51E2THRBKISS1R
SCHEMBL16280856 0.79 ALDH1A1 (0.34) LMNAALDH1A1KISS1RTDP1
SCHEMBL21407621 0.79 ALDH1A1 (0.34) LMNAALDH1A1KISS1RTDP1
SCHEMBL13113138 0.77
SCHEMBL13113139 0.77
SCHEMBL1926067 0.77
SCHEMBL14753893 0.77 GABRR1 (0.42) LMNAKISS1R
SCHEMBL6699946 0.77 THRB (0.43) LMNAALDH1A1OR51E2THRBTDP1
SCHEMBL28163698 0.77 PTPN1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL6839516 0.76 OR51E2 (0.60) LMNAALDH1A1OR51E2THRB

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-20040146535-A1 Agent for improving tissue penetration MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSHAFTEN E.V. (DE) 2004-07-29 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-20040146535-A1 Agent for improving tissue penetration PGF, MMP8, MMP1 LMNA 1714/4885ALDH1A1 1823/4885OR51E2 1783/4885

“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.