SCHEMBL5564299

SCHEMBL5564299

[CH2]COCCC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
EPHX1 P07099 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
PDK1 Q15118 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
SCHEMBL28379072 0.88 HPGD (0.40) HPGDPOLBALDH1A1TSHRLMNA
SCHEMBL7585837 0.81 LMNA (0.40) HPGDPOLBALDH1A1TSHRLMNA
SCHEMBL5180503 0.81 ALDH1A1 (0.38) HPGDPOLBALDH1A1TSHREPHX1
SCHEMBL6931763 0.80 LMNA (0.41) POLBALDH1A1TSHRLMNAPDK1
SCHEMBL18066384 0.78 HPGD (0.35) HPGDPOLBALDH1A1TSHRLMNA
SCHEMBL2046996 0.77
SCHEMBL25297722 0.77 LMNA (0.42) POLBALDH1A1TSHRLMNAKMT2A
SCHEMBL14961620 0.77 HPGD (0.34) HPGDPOLBALDH1A1TSHRKMT2A
SCHEMBL15236510 0.77 HPGD (0.34) HPGDPOLBALDH1A1TSHR
SCHEMBL8151949 0.76 EPHX1 (0.41) HPGDPOLBALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208491-B2 N-monoacylated o-phenylenediamines HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
EP-1594857-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP disclosed
WO-2004069133-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HOFFMANN-LA ROCHE INC. 2004-08-12 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-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HDAC1, HDAC11, HDAC7 HPGD 755/4885POLB 844/4885ALDH1A1 189/4885

“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.