SCHEMBL6950377

SCHEMBL6950377

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCCC2)C1c1cccc(Cl)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.48
CYP2C9 P11712 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 2/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ABCB11 O95342 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
NR1I2 O75469 1/20 0.48
GMNN O75496 1/20 0.48

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
SCHEMBL6947703 0.89 CYP2C9 (0.48) TP53CYP2C9KDM4EMEN1CYP1A2
SCHEMBL6947912 0.88 CYP2C9 (0.50) TP53CYP2C9KDM4EMEN1CYP1A2
SCHEMBL6949651 0.87 CYP2C9 (0.53) TP53CYP2C9KDM4EMEN1CYP1A2
SCHEMBL6952048 0.84 CYP2C9 (0.55) TP53CYP2C9KDM4EMEN1CYP1A2
SCHEMBL6952275 0.80 NR3C2 (0.42) TP53KDM4EALDH1A1GAAPOLB
SCHEMBL8475078 0.79 KDM4E (0.47) CYP2C9KDM4EMEN1CYP1A2CYP3A4
SCHEMBL6953285 0.79 NOTCH1 (0.63) TP53CYP2C9MEN1CYP1A2CYP3A4
SCHEMBL8021648 0.78 CYP2C9 (0.56) TP53CYP2C9KDM4EMEN1CYP1A2
SCHEMBL8474187 0.78 KDM4E (0.45) TP53KDM4EMAPTALDH1A1POLB
SCHEMBL6952565 0.78 ALOX15 (0.61) TP53CYP2C9KDM4EMEN1CYP1A2

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
EP-0657432-B1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 2003-03-12 EP claimed
US-6630494-B2 Treatment for central degenerative disorders, brain power disorders, depressions, and for prophylaxis of cerebral circulatory disorders BAYER AKTIENGESELLSCHAFT (DE) 2003-10-07 US disclosed
US-20010034451-A1 Phenyl-substituted 1,4-dihydropyridines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2001-10-25 US disclosed
US-6239155-B1 TREATMENT OF CENTRAL DEGENERATIVE DISORDERS, AS DEMENTIAS, ALZHEIMER'S DISEASE, PARKINSON'S DISEASE OR AMYOTROPHIC LATERAL SCLEROSIS, MEMORY IMPAIRMENT, DEPRESSIONS, MIGRAINE, OF NEUROPATHIES, METABOLIC DISORDERS SUCH AS DIABETES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-29 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-20010034451-A1 Phenyl-substituted 1,4-dihydropyridines GRIK4, PKM, PDK4 TP53 4129/4885CYP2C9 783/4885KDM4E 103/4885

“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.