SCHEMBL26876604

SCHEMBL26876604

CC(C)CCCNC(=S)NCCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 5/20 0.42
MAPT P10636 3/20 0.42
ALOX12 P18054 2/20 0.42
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
KDM1A O60341 3/20 0.37
MAOB P27338 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 2/20 0.37
GLA P06280 1/20 0.37
DUSP3 P51452 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL14996242 0.89 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL10908028 0.86 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5069319 0.84 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14996216 0.82 HRH2 (0.41) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL22645806 0.81 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL9851063 0.79 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL11593171 0.79 EPHX1 (0.49) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL11594453 0.79 EPHX1 (0.49) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL11594802 0.79 EPHX1 (0.49) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL26707060 0.79 HRH2 (0.49) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382875-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR ISOLATION OF NUCLEIC ACIDS PROMEGA CORPORATION 2023-11-30 US disclosed
US-20230382875-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR ISOLATION OF NUCLEIC ACIDS PROMEGA CORPORATION 2023-11-30 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-20230382875-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR ISOLATION OF NUCLEIC ACIDS POLRMT, POLN, NOP2 ALDH1A1 3155/4885CYP3A4 3822/4885CYP1A2 3666/4885

“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.