SCHEMBL4532301

SCHEMBL4532301

Cc1cc(OC(C)C)c(NC(=O)CN2CCN(CCO)CC2)c(OC(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 3/20 0.42
TP53 P04637 2/20 0.40
HPGD P15428 1/20 0.40
SOAT1 P35610 2/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNT1 Q5JUK3 1/20 0.38
LRRK2 Q5S007 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL4514770 0.84 LMNA (0.54) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL6727040 0.80 LMNA (0.44) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL4506878 0.78 KDM4E (0.42) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL4506399 0.77 SOAT1 (0.69) LMNATP53SOAT1POLB
SCHEMBL4829368 0.74 KDM4E (0.44) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL4505557 0.73 HSD17B10 (0.56) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL4522249 0.73 RAB9A (0.54) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL6277357 0.72 SOAT1 (0.49) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL4513891 0.71 SOAT1 (0.65) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL4827078 0.70 HSD17B10 (0.47) LMNAALDH1A1ALOX15HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
US-7176306-B2 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2007-02-13 US disclosed
EP-1571144-A1 HYDROXYALKYLATED CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2005-09-07 EP disclosed
US-20040176593-A1 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2004-09-09 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 (2 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-20040176593-A1 Hydroxyalkyl cyclic diamine compound DDC, AOC1, ODC1 LMNA 4821/4885ALDH1A1 45/4885ALOX15 1469/4885
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS HDHD5, DDC, DDT LMNA 4773/4885ALDH1A1 146/4885ALOX15 1731/4885

“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.