SCHEMBL16333336

SCHEMBL16333336

CCOC(=O)COc1cc(OC)c(OC(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TNF P01375 1/20 0.45
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.42
CYP3A4 P08684 3/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
NTSR1 P30989 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL18084992 0.81 ALDH1A1 (0.48) ALDH1A1TNFKDM4ETDP1HTT
SCHEMBL18084993 0.81 HTT (0.50) ALDH1A1TNFKDM4ETDP1HTT
SCHEMBL18084991 0.81 ALDH1A1 (0.45) ALDH1A1TNFKDM4ETDP1HTT
SCHEMBL13099994 0.79 ALDH1A1 (0.47) ALDH1A1TNFKDM4ETDP1HTT
SCHEMBL18084994 0.79 ALDH1A1 (0.45) ALDH1A1TNFKDM4ETDP1HTT
SCHEMBL32690686 0.79 HTT (0.50) ALDH1A1TNFKDM4ETDP1HTT
SCHEMBL32690852 0.79 HTT (0.50) ALDH1A1TNFKDM4ETDP1HTT
SCHEMBL32690661 0.78 ALDH1A1 (0.64) ALDH1A1TNFKDM4ETDP1LMNA
SCHEMBL32690685 0.78 ALDH1A1 (0.64) ALDH1A1TNFKDM4ETDP1LMNA
SCHEMBL9863069 0.76 MAPT (0.50) ALDH1A1KDM4ETDP1LMNACYP3A4

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-10138233-B2 Imidazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2018-11-27 US disclosed
EP-3013823-B1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2017-11-01 EP disclosed
EP-3013823-B1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2017-11-01 EP disclosed
US-20160152609-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 US disclosed
US-20160152609-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 US disclosed
US-20160152609-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 US disclosed
EP-3013823-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF Merck Patent GmbH (DE) 2016-05-04 EP disclosed
WO-2014209978-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2014-12-31 WO disclosed
WO-2014209978-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2014-12-31 WO 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 (2 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-10138233-B2 Imidazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR ALDH1A1 4607/4885TNF 3980/4885KDM4E 1175/4885
US-20160152609-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR ALDH1A1 4607/4885TNF 3980/4885KDM4E 1175/4885

“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.