SCHEMBL13193883

SCHEMBL13193883

C=C(C)C(=O)Oc1ccc2c(c1)Oc1cc(OC(=O)C(C)(C)C)ccc1C21OC(=O)c2cc(C(=O)NCCCCCC(=O)NCCOCCOCCCCCCCl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.43
▸ ALB P02768 1/20 0.41
▸ KCNH2 Q12809 3/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MMP14 P50281 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ ITPR3 Q14573 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ MIF P14174 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33

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
SCHEMBL4403236 0.96 GSTP1 (0.45) GSTP1ALBKCNH2MEN1USP2
SCHEMBL13881238 0.93 GSTP1 (0.46) GSTP1ALBKCNH2MEN1USP2
SCHEMBL12951612 0.91 GSTP1 (0.42) GSTP1ALBKCNH2MEN1USP2
SCHEMBL4403233 0.91 GSTP1 (0.41) GSTP1ALBKCNH2MEN1USP2
SCHEMBL12964684 0.90 ALB (0.44) GSTP1ALBKCNH2MEN1USP2
SCHEMBL18950720 0.88 GSTP1 (0.38) GSTP1ALBKCNH2MEN1USP2
SCHEMBL9965287 0.85 ALB (0.39) GSTP1ALBKCNH2MEN1USP2
SCHEMBL31343967 0.84 GSTP1 (0.58) GSTP1ALBKCNH2MEN1USP2
SCHEMBL4437789 0.84 HPGD (0.40) GSTP1MEN1ALDH1A1MAPTHTT
SCHEMBL16153101 0.83 HDAC6 (0.33) GSTP1ALBKCNH2MEN1ALDH1A1

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-20120258470-A1 COMPOSITIONS COMPRISING A DEHALOGENASE SUBSTRATE AND A RADIONUCLIDE AND METHODS OF USE PROMEGA CORPORATION (US) 2012-10-11 — — 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-20120258470-A1 COMPOSITIONS COMPRISING A DEHALOGENASE SUBSTRATE AND A RADIONUCLIDE AND METHODS OF USE HDHD5, DNPH1, DOHH GSTP1 402/4885ALB 1964/4885KCNH2 4526/4885

“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.

Send feedback