SCHEMBL5482492

SCHEMBL5482492

O=c1c(F)cn([C@H]2CCCO2)c(=O)n1COP(=O)(OCn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)OCn1c(=O)c(F)cn([C@H]2CCCO2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
ALDH1A1 P00352 4/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
LMNA P02545 2/20 0.48
ESR1 P03372 1/20 0.48
MAPT P10636 1/20 0.48
HSP90AA1 P07900 7/20 0.42
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.30

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
SCHEMBL5475095 1.00 HPGD (0.57) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL8274817 0.94 HPGD (0.53) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL5482495 0.91 HDAC1 (0.56) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL5475097 0.91 HDAC1 (0.56) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL5471316 0.81 HPGD (0.63) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL5471315 0.81 HPGD (0.63) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL11438845 0.78 HPGD (0.57) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL11098296 0.78 HPGD (0.60) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL5472225 0.78 HDAC1 (0.52) HPGDALDH1A1HDAC1HDAC2HDAC6
SCHEMBL5476271 0.77 HDAC1 (0.52) HPGDALDH1A1HDAC1HDAC2HDAC6

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-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2007-12-20 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-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety DHFR, FAU, MYD88 HPGD 344/4885ALDH1A1 234/4885HDAC1 276/4885

“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.