SCHEMBL3189656

SCHEMBL3189656

Cc1cc(OCCO)cc(C)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 4/20 0.47
TSHR P16473 3/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.45
NR1I2 O75469 1/20 0.44
RECQL P46063 1/20 0.43
TP53 P04637 4/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 3/20 0.42
STAT3 P40763 1/20 0.42
NOD2 Q9HC29 1/20 0.42
MCL1 Q07820 2/20 0.41
ALOX15 P16050 1/20 0.39
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL78064 0.90 ALDH1A1 (0.47) ALDH1A1LMNATSHRCYP1A2POLB
SCHEMBL8463237 0.81 CA1 (0.48) ALDH1A1LMNATSHRCYP1A2POLB
SCHEMBL16523503 0.81 ALDH1A1 (0.41) ALDH1A1LMNATSHRCYP1A2POLB
SCHEMBL9935455 0.79 CYP1A2 (0.46) ALDH1A1LMNATSHRCYP1A2POLB
SCHEMBL8420025 0.79 ALDH1A1 (0.45) ALDH1A1LMNATSHRCYP1A2POLB
SCHEMBL9934577 0.79 POLB (0.46) ALDH1A1LMNATSHRCYP1A2POLB
SCHEMBL11706025 0.79 TP53 (0.46) ALDH1A1LMNATSHRCYP1A2POLB
SCHEMBL9935369 0.79 TSHR (0.46) ALDH1A1LMNATSHRCYP1A2POLB
SCHEMBL6508886 0.79 ALDH1A1 (0.45) ALDH1A1LMNATSHRCYP1A2CYP2D6
SCHEMBL77567 0.79 TSHR (0.69) ALDH1A1LMNATSHRCYP1A2POLB

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 11 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
CN-100418944-C Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL (JP) 2008-09-17 CN 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
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 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
CN-1751019-A Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL (JP) 2006-03-22 CN 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 (3 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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A ALDH1A1 106/4885LMNA 3859/4885TSHR 181/4885
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A ALDH1A1 180/4885LMNA 3710/4885TSHR 113/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A ALDH1A1 180/4885LMNA 3710/4885TSHR 113/4885

“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.