SCHEMBL6712931

SCHEMBL6712931

O=C=CCc1ccc(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.57
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
MAPT P10636 8/20 0.47
KDM4E B2RXH2 7/20 0.47
HIF1A Q16665 5/20 0.47
HSD17B10 Q99714 5/20 0.47
LMNA P02545 5/20 0.47
BLM P54132 5/20 0.47
THPO P40225 4/20 0.47
HPGD P15428 4/20 0.47
PMP22 Q01453 4/20 0.47
GAA P10253 3/20 0.47
NFKB1 P19838 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.47
APEX1 P27695 2/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL7713203 0.79 ALDH1A1 (0.64) LMNAHPGDGAANFKB1TDP1
SCHEMBL29929036 0.79 XDH (0.65) XDHCA1CA2CA4CA6
SCHEMBL891837 0.79 XDH (0.65) XDHCA1CA2CA4CA6
SCHEMBL1387883 0.77 ESR1 (0.44) CA2KDM4EBLMTDP1TRPA1
SCHEMBL26249726 0.76 XDH (0.68) XDHCA1CA2CA4CA6
SCHEMBL28140503 0.74 ENPP2 (0.48) CA2MAPTKDM4EHSD17B10LMNA
SCHEMBL10403571 0.72 XDH (0.63) XDHCA1CA2CA4CA6
SCHEMBL5833388 0.72 XDH (0.63) XDHCA1CA2CA4CA6
SCHEMBL3217327 0.72 CA1 (0.56) XDHCA1CA2CA4CA6
Hydroxychavicol SCHEMBL43300 0.72 XDH (1.00) XDHCA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097436-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-05-20 US claimed
US-6689767-B2 TRITERPENE BACTERICIDES REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-02-10 US claimed
US-20020119935-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-08-29 US claimed
WO-2002026762-A1 TRITERPENES HAVING ANTIBACTERIAL ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 WO claimed
US-20040097436-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-05-20 US disclosed
US-6689767-B2 TRITERPENE BACTERICIDES REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-02-10 US disclosed
US-20020119935-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-08-29 US disclosed
WO-2002026762-A1 TRITERPENES HAVING ANTIBACTERIAL ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 WO 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 (2 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-20040097436-A1 Triterpenes having antibacterial activity BET1, PGGT1B, LSS XDH 458/4885CA1 4376/4885CA2 4451/4885
US-20020119935-A1 Triterpenes having antibacterial activity BET1, PGGT1B, LSS XDH 458/4885CA1 4376/4885CA2 4451/4885

“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.