SCHEMBL9252276

SCHEMBL9252276

CC1CCCC(O)(C(=O)C(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL9249685 0.88 CYP1A2 (0.35) CYP1A2
SCHEMBL12733023 0.80 CYP1A2 (0.47) CYP1A2KDM4E
SCHEMBL12733025 0.80 CYP1A2 (0.47) CYP1A2KDM4E
SCHEMBL1045193 0.80 CYP1A2 (0.47) CYP1A2KDM4E
SCHEMBL12733024 0.80 CYP1A2 (0.47) CYP1A2KDM4E
SCHEMBL12733021 0.80 CYP1A2 (0.47) CYP1A2KDM4E
SCHEMBL28143301 0.80 CYP1A2 (0.52) CYP1A2
SCHEMBL19558491 0.80 CYP1A2 (0.52) CYP1A2
SCHEMBL6913788 0.79 MMP1 (0.31)
SCHEMBL10125737 0.79

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 22 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-20120283207-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120283208-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120214760-A1 TREATMENT OF URINARY TRACT 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-20120135945-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20120135946-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

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 CYP1A2 2298/4885KDM4E 2729/4885GAA 253/4885
US-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 CYP1A2 1336/4885KDM4E 3622/4885GAA 200/4885
US-20120283208-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QTRT1 CYP1A2 1081/4885KDM4E 3771/4885GAA 160/4885
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 CYP1A2 1551/4885KDM4E 3617/4885GAA 148/4885
US-20160368942-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 CYP1A2 2298/4885KDM4E 2729/4885GAA 253/4885
US-20120214760-A1 TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS NPEPPS, PIGS, ATP6V1B1 CYP1A2 3326/4885KDM4E 4510/4885GAA 36/4885
US-20110275586-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, MRPS23 CYP1A2 1195/4885KDM4E 3232/4885GAA 234/4885
US-20150045317-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 CYP1A2 2298/4885KDM4E 2729/4885GAA 253/4885
US-20120172332-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 CYP1A2 1267/4885KDM4E 3626/4885GAA 168/4885
US-20120135945-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 CYP1A2 1496/4885KDM4E 3577/4885GAA 140/4885
US-20120283207-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QTRT1 CYP1A2 1081/4885KDM4E 3771/4885GAA 160/4885
US-20120165282-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, QARS1, NQO2 CYP1A2 1530/4885KDM4E 4047/4885GAA 250/4885
US-20120208781-A1 AMINOGLYCOSIDE DOSING REGIMENS ATP6V1B1, GLS, NRDC CYP1A2 2047/4885KDM4E 4645/4885GAA 726/4885

“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.