SCHEMBL30349552

SCHEMBL30349552

CC(C)(C)S/N=C(\CCC1OCCCO1)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
LDLR P01130 2/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
LMNA P02545 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
CYP2C19 P33261 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL34462100 1.00 ALDH1A1 (0.36) ALDH1A1KDM4ECTNNB1WNT3ALDLR
SCHEMBL28642368 0.80 ALDH1A1 (0.38) ALDH1A1KDM4ECTNNB1WNT3ALDLR
SCHEMBL21259802 0.76 KDM4E (0.44) ALDH1A1KDM4ECYP3A4CYP1A2LMNA
SCHEMBL21747406 0.74 CTNNB1 (0.53) ALDH1A1CTNNB1WNT3ALDLRSMN1; SMN2
SCHEMBL20897370 0.68 CTNNB1 (0.56) ALDH1A1CTNNB1WNT3ALDLRSMN1; SMN2
SCHEMBL23428914 0.67 ALDH1A1 (0.49) ALDH1A1KDM4ELDLRCYP3A4CYP1A2
SCHEMBL5373712 0.66 ALDH1A1 (0.46) ALDH1A1CTNNB1WNT3ALDLRSMN1; SMN2
SCHEMBL5373716 0.66 ALDH1A1 (0.46) ALDH1A1CTNNB1WNT3ALDLRSMN1; SMN2
SCHEMBL18604872 0.64 ALDH1A1 (0.46) ALDH1A1KDM4ELDLRCYP3A4CYP1A2
SCHEMBL18623188 0.64 ALDH1A1 (0.46) ALDH1A1KDM4ELDLRCYP3A4CYP1A2

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-20230092227-A1 PREPARATION METHOD FOR SYNTHESIZING CHIRAL NICOTINE FROM CHIRAL TERT-BUTYLSULFENAMIDE SHENZHEN ZINWI BIO-TECH CO., LTD (CN) 2023-03-23 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-20230092227-A1 PREPARATION METHOD FOR SYNTHESIZING CHIRAL NICOTINE FROM CHIRAL TERT-BUTYLSULFENAMIDE DNMT1, MECP2, DNMT3A ALDH1A1 2729/4885KDM4E 326/4885CTNNB1 1520/4885

“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.