SCHEMBL23686308

SCHEMBL23686308

CCCCc1ccc(C2C(C(=O)OCCOC)=C(C)NC(C)=C2C(=O)OC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
MEN1 O00255 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 2/20 0.57
CYP2D6 P10635 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
MAPT P10636 1/20 0.57
CACNA1F O60840 5/20 0.54
CACNA1D Q01668 5/20 0.54
CACNA1S Q13698 5/20 0.54
CACNA1C Q13936 5/20 0.54
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51

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
SCHEMBL23686108 0.87 HTT (0.50) LMNAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL23686117 0.86 LMNA (0.64) LMNAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL23686115 0.84 CACNA1F (0.66) LMNAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL23686191 0.84 ABCC1 (0.67) LMNAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL23686104 0.84 KDM4E (0.69) LMNAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL23686116 0.84 KMT2A (0.70) LMNAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL23668762 0.82 LMNA (0.59) LMNAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL21001936 0.81 LMNA (0.58) LMNAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL23686114 0.80 LMNA (0.57) LMNAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL23686216 0.80 MEN1 (0.78) LMNAMEN1CYP1A2CYP3A4CYP2C9

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-20210230117-A1 DIHYDROPYRIDINES FOR THE TREATMENT OF COGNITIVE IMPAIRMENT OR TRAUMATIC BRAIN INJURY THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2021-07-29 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-20210230117-A1 DIHYDROPYRIDINES FOR THE TREATMENT OF COGNITIVE IMPAIRMENT OR TRAUMATIC BRAIN INJURY GAP43, SYNJ1, PSD LMNA 4376/4885MEN1 3171/4885CYP1A2 4652/4885

“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.