SCHEMBL9253362

SCHEMBL9253362

CC(C)C(=O)C1(O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL10125689 0.97 KDM4E (0.32) KDM4E
SCHEMBL9249695 0.92 TSHR (0.31) ALDH1A1CYP2C19
SCHEMBL888643 0.86
SCHEMBL28956422 0.85 TP53 (0.33) KDM4E
SCHEMBL6205617 0.77 ALDH1A1 (0.39) ALDH1A1
SCHEMBL15113942 0.77
SCHEMBL11140873 0.77 KDM4E (0.34) KDM4ECYP2C19
SCHEMBL19388617 0.77 MME (0.33)
SCHEMBL16788149 0.75
SCHEMBL6914016 0.75 CYP1A2 (0.38) KDM4E

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688711-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2017-06-27 US disclosed
US-20160368942-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2016-12-22 US disclosed
US-9266919-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2016-02-23 US disclosed
US-20150045317-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2015-02-12 US disclosed
US-8822424-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-09-02 US disclosed
US-8658606-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-25 US disclosed
US-8653042-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-18 US disclosed
US-8524675-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-8524689-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-20130217642-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2013-08-22 US disclosed
US-20120214760-A1 TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2012-08-23 US disclosed
US-20120214759-A1 TREATMENT OF KLEBSIELLA PNEUMONIAE INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2012-08-23 US disclosed
US-20120208781-A1 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2012-08-16 US disclosed
US-20120172332-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-07-05 US disclosed
US-20120165282-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-06-28 US disclosed
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20120135945-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20110275586-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-11-10 US disclosed
US-20100099661-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-22 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 (13 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-20130217642-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 KDM4E 2729/4885ALDH1A1 1655/4885CYP2C19 731/4885
US-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 KDM4E 3622/4885ALDH1A1 1404/4885CYP2C19 1307/4885
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 KDM4E 3617/4885ALDH1A1 1260/4885CYP2C19 1404/4885
US-20160368942-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 KDM4E 2729/4885ALDH1A1 1655/4885CYP2C19 731/4885
US-20120214760-A1 TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS NPEPPS, PIGS, ATP6V1B1 KDM4E 4510/4885ALDH1A1 1520/4885CYP2C19 3481/4885
US-20110275586-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, MRPS23 KDM4E 3232/4885ALDH1A1 1686/4885CYP2C19 1176/4885
US-20150045317-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 KDM4E 2729/4885ALDH1A1 1655/4885CYP2C19 731/4885
US-20100099661-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 KDM4E 2729/4885ALDH1A1 1655/4885CYP2C19 731/4885
US-20120172332-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 KDM4E 3626/4885ALDH1A1 1063/4885CYP2C19 1228/4885
US-20120135945-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 KDM4E 3577/4885ALDH1A1 1178/4885CYP2C19 1339/4885
US-20120214759-A1 TREATMENT OF KLEBSIELLA PNEUMONIAE INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS PIGS, PIGO, NPEPPS KDM4E 2739/4885ALDH1A1 3310/4885CYP2C19 4067/4885
US-20120165282-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, QARS1, NQO2 KDM4E 4047/4885ALDH1A1 1091/4885CYP2C19 1467/4885
US-20120208781-A1 AMINOGLYCOSIDE DOSING REGIMENS ATP6V1B1, GLS, NRDC KDM4E 4645/4885ALDH1A1 1713/4885CYP2C19 2806/4885

“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.