SCHEMBL6981207

SCHEMBL6981207

COC(=O)c1ccc(CCCCCO)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
CYP4A11 Q02928 3/20 0.50
CYP4F2 P78329 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PRNP P04156 1/20 0.50
RECQL P46063 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 2/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2162982 0.98 HPGD (0.55) HPGDCYP4A11CYP4F2LMNAALDH1A1
SCHEMBL2162296 0.94 HPGD (0.52) HPGDCYP4A11CYP4F2LMNAALDH1A1
SCHEMBL7211528 0.88 HPGD (0.57) HPGDLMNAALDH1A1PRNPRECQL
SCHEMBL1368290 0.87 NPSR1 (0.50) HPGDCYP4A11CYP4F2LMNAALDH1A1
SCHEMBL6978193 0.86 HPGD (0.59) HPGDCYP4A11CYP4F2LMNAALDH1A1
SCHEMBL27621806 0.86 HPGD (0.55) HPGDLMNAALDH1A1PRNPRECQL
SCHEMBL2654064 0.85 POLB (0.49) HPGDCYP4A11CYP4F2LMNAALDH1A1
SCHEMBL2655129 0.85 POLB (0.49) HPGDCYP4A11CYP4F2LMNAALDH1A1
SCHEMBL2653395 0.85 POLB (0.49) HPGDCYP4A11CYP4F2LMNAALDH1A1
SCHEMBL2160349 0.84 HPGD (0.54) HPGDLMNAALDH1A1PRNPRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303251-A1 CONJUGATES OF GARFTASE INHIBITORS ENDOCYTE, INC. 2016-10-20 US disclosed
WO-2016089879-A1 CONJUGATES OF GARFTASE INHIBITORS ENDOCYTE, INC. (US) 2016-06-09 WO disclosed
EP-1109560-B1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMA (US) 2003-08-27 EP disclosed
US-6525050-B1 Inhibit the enzyme aminoimidazole carboxamide ribonucleotide formyl transferase; antiproliferative agents; antitumor, antiinflammatory, antipsoriatic, and/or immunosuppressive AGOURON PHARMACEUTICALS, INC. 2003-02-25 US disclosed
EP-1109560-A4 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMA (US) 2002-04-17 EP disclosed
EP-1109560-A1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-27 EP disclosed
WO-2000013688-A1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2000-03-16 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-20160303251-A1 CONJUGATES OF GARFTASE INHIBITORS DHFR, FOLR1, MTHFD1 HPGD 1936/4885CYP4A11 3372/4885CYP4F2 571/4885

“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.