SCHEMBL3201674

SCHEMBL3201674

CCC(C)c1cc(Br)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
DHODH Q02127 2/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
MYC P01106 1/20 0.41
NR4A1 P22736 1/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
APEX1 P27695 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CES2 O00748 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
SCHEMBL3194641 0.82 KDM4E (0.48) KDM4EGLADHODHPOLBMYC
SCHEMBL1356395 0.81 ACE2 (0.54) KDM4EMYCRAB9AMAPTTDP1
SCHEMBL39297 0.81 CA12 (0.48) KDM4EPOLBMYCRAB9ATDP1
SCHEMBL29005696 0.81 KDM4E (0.47) KDM4EGLADHODHPOLBMYC
SCHEMBL27888029 0.80 ALDH1A1 (0.44) KDM4EHPGDRAB9ANPSR1TDP1
SCHEMBL27904829 0.80 ALDH1A1 (0.44) KDM4EHPGDRAB9ANPSR1TDP1
SCHEMBL31502427 0.78 ALDH1A1 (0.42) KDM4EGLAPOLBMYCNR4A1
SCHEMBL1985350 0.78 AKR1C3 (0.47) KDM4EPOLBHPGDRAB9ASMN1; SMN2
SCHEMBL28616010 0.78 ALDH1A1 (0.40) KDM4ERAB9ASMN1; SMN2ACE2TSHR
SCHEMBL11613901 0.77 KDM4E (0.50) KDM4EGLAPOLBHPGDMYC

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 9 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
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
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 KDM4E 2845/4885GLA 2163/4885DHODH 3455/4885
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A KDM4E 2733/4885GLA 2228/4885DHODH 2968/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A KDM4E 2733/4885GLA 2228/4885DHODH 2968/4885

“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.