SCHEMBL9906644

SCHEMBL9906644

CC(C)=CCC/C(C)=C/CCC(C)NC(CO)CN1CCCC1CO

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
UGT1A1 P22309 1/20 0.37
GBA1 P04062 2/20 0.35
GBA2 Q9HCG7 2/20 0.35
UGCG Q16739 1/20 0.35
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
SQLE Q14534 1/20 0.33

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
SCHEMBL9906632 0.89 MEN1 (0.41) KMT2AMEN1ALDH1A1RECQLMAPT
SCHEMBL9909027 0.86 MEN1 (0.39) KMT2AMEN1ALDH1A1RECQL
SCHEMBL9906642 0.85 MEN1 (0.42) KMT2AMEN1ALDH1A1RECQLMAPT
SCHEMBL9906652 0.84 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1RECQLGBA1
SCHEMBL9906634 0.83 SPHK1 (0.37) KMT2AMEN1ALDH1A1RECQL
SCHEMBL9906627 0.80 HTR6 (0.38) KMT2AMEN1ALDH1A1RECQLMAPT
SCHEMBL9906650 0.78 TDP1 (0.39) KMT2AMEN1ALDH1A1RECQLALOX15
SCHEMBL10601741 0.67 DPP4 (0.39) KMT2AMEN1ALDH1A1RECQLMAPT
SCHEMBL12865047 0.67 MEN1 (0.55) KMT2AMEN1ALDH1A1RECQLGBA1
SCHEMBL10601742 0.67 DPP4 (0.39) KMT2AMEN1ALDH1A1RECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed
US-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed
US-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES SEQUELLA, INC. 2010-10-28 US disclosed
US-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES SEQUELLA, INC. 2010-10-28 US disclosed
US-7652039-B2 Such as 1-(2-((3-(4-chlorophenoxy)benzyl)amino)-3-phenyl-propyl)piperidin-4-ol for treatment of tuberculosis; solid phase synthesis SEQUELLA, INC. (US) 2010-01-26 US disclosed
US-7652039-B2 Such as 1-(2-((3-(4-chlorophenoxy)benzyl)amino)-3-phenyl-propyl)piperidin-4-ol for treatment of tuberculosis; solid phase synthesis SEQUELLA, INC. (US) 2010-01-26 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-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES C5, THPO, TERT KMT2A 2342/4885MEN1 952/4885ALDH1A1 1264/4885

“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.