SCHEMBL7226152

SCHEMBL7226152

O=C1c2[c]c(F)cc(C(=O)O)c2-c2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
TTR P02766 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
DHFR P00374 1/20 0.38
ALB P02768 1/20 0.38
HMGB1 P09429 1/20 0.38
CXCL12 P48061 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7226150 0.77 KEAP1 (0.47) KEAP1TTRALDH1A1KDM4ECA1
SCHEMBL7226887 0.74 HKDC1 (0.37) TTRLMNAHPGDHIF1ACYP3A4
SCHEMBL22190040 0.66 KEAP1 (0.63) KEAP1TTRALDH1A1KDM4ECA1
SCHEMBL9173657 0.65 TTR (0.70) TTRALDH1A1CA1CA2HPGD
SCHEMBL9328908 0.64 CA1 (0.52) TTRALDH1A1CA1CA2MEN1
SCHEMBL7432075 0.64 CA1 (0.52) ALDH1A1CA1CA2CYP1A2CYP3A4
SCHEMBL30479662 0.64 CA1 (0.52) ALDH1A1CA1CA2CYP1A2CYP3A4
SCHEMBL11142031 0.61 APAF1 (0.52) TTRALDH1A1KDM4ECA1CA2
SCHEMBL7927327 0.61 MEN1 (0.57) TTRALDH1A1KDM4ECA1CA2
SCHEMBL6498591 0.61 HSD17B10 (0.58) KEAP1TTRALDH1A1KDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545011-B2 PARP (poly(adenosine 5'-diphospho-ribose) polymerase) inhibitors GUILFORD PHARMACEUTICALS INC. 2003-04-08 US disclosed
US-20020037904-A1 Substituted 4,9-dihydrocyclopent a [imn] phenanthridine-5-ones, derivatives thereof and their uses EISAI INC. 2002-03-28 US disclosed
WO-2002006240-A1 SUBSTITUTED 4,9-DIHYDROCYCLOPENTA[IMN] PHENANTHRIDINE-5-ONES, DERIVATIVES THEREOF AND THEIR USES GUILFORD PHARMACEUTICALS INC. (US) 2002-01-24 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 (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-20020037904-A1 Substituted 4,9-dihydrocyclopent a [imn] phenanthridine-5-ones, derivatives thereof and their uses PARP1, PARP2, PARP4 KEAP1 718/4885TTR 4884/4885ALDH1A1 1066/4885

“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.