SCHEMBL3189644

SCHEMBL3189644

COC(=O)c1ccc(-c2cc(C)c(OCC(C)=O)c(C)c2)cc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CAMKK2 Q96RR4 3/20 0.35
CAMKK1 Q8N5S9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPK8 P45983 2/20 0.33
PIK3CG P48736 2/20 0.33
GSK3B P49841 1/20 0.33
LMNA P02545 2/20 0.33
SLC6A2 P23975 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
SCHEMBL4132665 0.85 CAMKK2 (0.37) SRD5A2TDP1CAMKK2CAMKK1THRA
SCHEMBL4142314 0.83 HMGCR (0.42) KDM4E
SCHEMBL4146025 0.83 MCL1 (0.49) ALDH1A1LMNAMCL1HPGD
SCHEMBL4147518 0.82 VDR (0.35) SRD5A2TDP1CAMKK2CAMKK1SMN1; SMN2
SCHEMBL4133314 0.81 CA1 (0.41) SMN1; SMN2ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL4816375 0.76 GAA (0.43) SRD5A2CAMKK2CAMKK1SMN1; SMN2MEN1
SCHEMBL3198759 0.75 HIF1A (0.47) MEN1KMT2ALMNASLC6A2SLC6A4
SCHEMBL3198748 0.75 HIF1A (0.47) MEN1KMT2ALMNASLC6A2SLC6A4
SCHEMBL4815035 0.73 MAPT (0.44) TDP1CAMKK2CAMKK1KDM4E
SCHEMBL4133504 0.71 MCL1 (0.58) CAMKK2CAMKK1MAPK8PIK3CGGSK3B

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-7674938-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-09 US disclosed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
US-7423185-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-09 US disclosed
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 EP disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 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 (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-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A SRD5A2 410/4885TDP1 4391/4885CAMKK2 2466/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A SRD5A2 410/4885TDP1 4391/4885CAMKK2 2466/4885

“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.