SCHEMBL2091382

SCHEMBL2091382

CC(=O)NCCC1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 1/20 0.39
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MTNR1A P48039 9/20 0.37
MTNR1B P49286 7/20 0.37
NQO2 P16083 4/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
PAOX Q6QHF9 2/20 0.35
ACACB O00763 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL5392965 0.92
SCHEMBL6707040 0.83 EPHX1 (0.56) KDM4EMAPK1HIF1AEPHX1TSHR
SCHEMBL8392768 0.83 EPHX1 (0.52) KDM4EMAPK1HIF1AEPHX1TSHR
SCHEMBL931424 0.82 EPHX1 (0.59) KDM4EMAPK1HIF1AEPHX1TSHR
SCHEMBL4433097 0.82 EPHX1 (0.42) EPHX1
SCHEMBL8392277 0.82 EPHX1 (0.59) KDM4EMAPK1HIF1AEPHX1TSHR
SCHEMBL15250149 0.79 EPHX1 (0.38) KDM4EMAPK1HIF1AEPHX1TSHR
SCHEMBL2094939 0.79 MTNR1A (0.40) KDM4EMAPK1HIF1AEPHX1TSHR
SCHEMBL8392280 0.79 KDM4E (0.56) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL25527588 0.79 TDP1 (0.50) EPHX1ALDH1A1MTNR1AMTNR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 US disclosed
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 WO disclosed
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 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 (1 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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 KDM4E 4024/4885MAPK1 3067/4885HIF1A 478/4885

“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.