SCHEMBL7187731

SCHEMBL7187731

O=C(O)c1cccc(CCCCF)c1O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.68
ALB P02768 1/20 0.49
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP2 P08253 1/20 0.44
FOLH1 Q04609 1/20 0.42
HNF4A P41235 1/20 0.42
BID P55957 4/20 0.42
MCL1 Q07820 4/20 0.42
BCL2L1 Q07817 3/20 0.42
BAK1 Q16611 3/20 0.42
KAT8 Q9H7Z6 1/20 0.42

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
SCHEMBL28400709 0.85 HMGB1 (0.65) HMGB1ALBKDM4EALDH1A1HPGD
SCHEMBL3899554 0.84 FOLH1 (0.59) HMGB1ALDH1A1FOLH1BIDMCL1
SCHEMBL300854 0.83 HMGB1 (0.63) HMGB1KDM4EHSD17B10MMP2BID
Hydrochloric Acid SCHEMBL7539402 0.83 FOLH1 (0.58) HMGB1ALDH1A1FOLH1BIDMCL1
SCHEMBL1257329 0.83 FOLH1 (0.58) HMGB1ALDH1A1FOLH1BIDMCL1
SCHEMBL6435540 0.82 BID (0.63) HMGB1KDM4EHSD17B10MMP2BID
SCHEMBL2044839 0.82 BID (0.63) HMGB1KDM4EHSD17B10MMP2BID
SCHEMBL1003208 0.82 BID (0.63) HMGB1KDM4EHSD17B10MMP2BID
SCHEMBL5272270 0.82 BID (0.63) HMGB1KDM4EHSD17B10MMP2BID
SCHEMBL6436998 0.82 BID (0.63) HMGB1KDM4EHSD17B10MMP2BID

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-6639093-B2 Reacting benzyl chloride with hydroxybenzoic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 2003-03-20 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-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, HACL2 HMGB1 3401/4885ALB 2308/4885KDM4E 278/4885

“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.