SCHEMBL16186965

SCHEMBL16186965

CC(C)(C)OC(=O)CN1CCCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)C(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 2/20 0.39
▸ SIGMAR1 Q99720 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ KCNJ1 P48048 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ NR1D1 P20393 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL15047614 0.85 KDM4E (0.48) KDM4ELMNASIGMAR1ALDH1A1ADRA1D
SCHEMBL5864578 0.84 KCNJ1 (0.43) KDM4ELMNAALDH1A1KCNJ1KCNH2
SCHEMBL15709381 0.82 KDM4E (0.47) KDM4ELMNASIGMAR1ALDH1A1ADRA1D
SCHEMBL20145851 0.76 KDM4E (0.43) KDM4ELMNASIGMAR1ALDH1A1ADRA1D
SCHEMBL12005236 0.75 ALDH1A1 (0.40) KDM4ELMNASIGMAR1ALDH1A1KCNJ1
SCHEMBL15709265 0.75 CACNA1H (0.40) SIGMAR1ALDH1A1
SCHEMBL12195291 0.75 KDM4E (0.56) KDM4ELMNAALDH1A1KCNJ1L3MBTL1
SCHEMBL16656263 0.75 KDM4E (0.56) KDM4ELMNAALDH1A1KCNJ1L3MBTL1
SCHEMBL6100422 0.75 ALDH1A1 (0.39) KDM4ELMNAALDH1A1KCNJ1KCNH2
SCHEMBL1578801 0.73 ALDH1A1 (0.49) KDM4EALDH1A1NR1D1THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140314670-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS UNIVERSITE DE CERGY PONTOISE (FR) 2014-10-23 — — 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-20140314670-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS SSTR4, SSTR3, SSTR2 KDM4E 1752/4885LMNA 1146/4885SIGMAR1 352/4885

“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.

Send feedback