SCHEMBL4580954

SCHEMBL4580954

CNC1=CCC(C)(C)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
MAOA P21397 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL16572379 0.71 HSD11B1 (0.38) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL15466074 0.70 ALDH1A1 (0.36) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL11616927 0.70 ALDH1A1 (0.42) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL2318962 0.70 ALDH1A1 (0.42) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL11618552 0.70 ALDH1A1 (0.36) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL7861816 0.69
SCHEMBL4148665 0.67 ALDH1A1 (0.36) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL1765776 0.67 PTGES (0.35) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL15418543 0.67 HSD17B10 (0.35) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL10932007 0.65 ALDH1A1 (0.33) GAAKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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 (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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 GAA 4328/4885KDM4E 1597/4885MEN1 2752/4885

“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.