SCHEMBL3992448

SCHEMBL3992448

O=C(O)c1cc(-c2ccc(O)c(F)c2)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
LMNA P02545 2/20 0.68
HSD17B10 Q99714 2/20 0.68
ACMSD Q8TDX5 8/20 0.67
MCL1 Q07820 5/20 0.67
DHFR P00374 2/20 0.67
HNF4A P41235 1/20 0.67
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
MEN1 O00255 1/20 0.63
USP2 O75604 1/20 0.63
ALDH1A1 P00352 1/20 0.63
TTR P02766 1/20 0.63
ALB P02768 1/20 0.63
HMGB1 P09429 1/20 0.63
HPGD P15428 1/20 0.63
CXCL12 P48061 1/20 0.63
KMT2A Q03164 1/20 0.63
HIF1A Q16665 1/20 0.63
SLC22A6 Q4U2R8 1/20 0.63

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
SCHEMBL2512415 0.91 ACMSD (0.65) KDM4ELMNAHSD17B10ACMSDMCL1
SCHEMBL28683577 0.89 KDM4E (0.68) KDM4ELMNAHSD17B10ACMSDMCL1
SCHEMBL2771723 0.88 ACMSD (0.83) KDM4EHSD17B10ACMSDMCL1DHFR
SCHEMBL29904854 0.88 ACMSD (0.83) KDM4EHSD17B10ACMSDMCL1DHFR
Methane SCHEMBL28165586 0.86 ACMSD (0.80) KDM4EHSD17B10ACMSDMCL1DHFR
SCHEMBL18224311 0.86 ACMSD (0.88) ACMSDMCL1DHFRHNF4ACA1
SCHEMBL22206257 0.86 ACMSD (0.80) KDM4EHSD17B10ACMSDMCL1DHFR
SCHEMBL29374831 0.86 ACMSD (0.88) ACMSDMCL1DHFRHNF4ACA1
SCHEMBL330405 0.85 ACMSD (0.72) KDM4ELMNAHSD17B10ACMSDMCL1
SCHEMBL411333 0.83 ACMSD (0.65) KDM4ELMNAHSD17B10ACMSDMCL1

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-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 US disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 KDM4E 1332/4885LMNA 575/4885HSD17B10 933/4885

“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.