SCHEMBL4386133

SCHEMBL4386133

COC(=O)Cc1cc(O)cc(O)c1-c1ccc(CNCCCN2CCOCC2)o1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
ALDH1A1 P00352 4/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4384657 0.85 HTT (0.43) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL4393726 0.84 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2CD274
SCHEMBL4385587 0.83 NPSR1 (0.37) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL4381665 0.82 LMNA (0.51) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL4386807 0.81 QPCT (0.41) LMNAALDH1A1CD274
SCHEMBL4384965 0.78 ALDH1A1 (0.43) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL4389553 0.76 EGFR (0.40) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL4395260 0.75 ALDH1A1 (0.41) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL4388212 0.74 ALDH1A1 (0.40) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL4383921 0.74 ALDH1A1 (0.42) ALDH1A1POLBMEN1KMT2ASMN1; SMN2

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-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P LMNA 4706/4885ALDH1A1 3520/4885POLB 3913/4885

“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.