SCHEMBL21100818

SCHEMBL21100818

CC(C)C(=O)N[C@H](C)CCO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33
CNR2 P34972 1/20 0.33
CNR1 P21554 4/20 0.33
CYP2D6 P10635 1/20 0.31
HPGD P15428 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
PAX8 Q06710 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL21361192 1.00 ACACB (0.34) ACACBCYP2C19KDM4ECYP2C9CNR2
SCHEMBL5814918 1.00 ACACB (0.34) ACACBCYP2C19KDM4ECYP2C9CNR2
SCHEMBL21100949 0.82 CNR1 (0.31) ACACBCNR1
SCHEMBL8847890 0.81 ALDH1A1 (0.46) ACACBCNR2HPGDTAS1R3TAS1R1
SCHEMBL8459221 0.80 CNR1 (0.41) ACACBCNR2CNR1ALDH1A1PAX8
SCHEMBL10311692 0.80 CNR1 (0.41) ACACBCNR2CNR1ALDH1A1PAX8
SCHEMBL10311688 0.80 CNR1 (0.41) ACACBCNR2CNR1ALDH1A1PAX8
SCHEMBL8684460 0.80 CYP2C19 (0.46) CYP2C19KDM4ECYP2C9CYP2D6HPGD
SCHEMBL3952688 0.78
SCHEMBL20640703 0.78

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-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 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-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT ACACB 120/4885CYP2C19 1843/4885KDM4E 3217/4885

“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.