SCHEMBL18199501

SCHEMBL18199501

C=C(CC(C)C)NC1CC2CCC1CC2NC(=O)CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
EPHX2 P34913 3/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX1 P07099 1/20 0.30
PTPN1 P18031 1/20 0.30
PREP P48147 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
KDM5A P29375 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
SCHEMBL20340486 0.90 ALDH1A1 (0.37) ALDH1A1SIGMAR1EPHX2TP53SMN1; SMN2
SCHEMBL20340485 0.78 RAB9A (0.42) SMN1; SMN2HPGDCYP3A4CYP2C19RAB9A
SCHEMBL20340487 0.78 RAB9A (0.36) ALDH1A1TP53SMN1; SMN2HPGDCYP3A4
SCHEMBL774870 0.73 RAB9A (0.42) ALDH1A1SMN1; SMN2HPGDCYP3A4CYP2C19
SCHEMBL776366 0.73 HPGD (0.39) ALDH1A1TP53SMN1; SMN2HPGDCYP3A4
SCHEMBL18199502 0.69 RAB9A (0.41) ALDH1A1TP53SMN1; SMN2HPGDCYP3A4
SCHEMBL5067337 0.69 RAB9A (0.49) SMN1; SMN2HPGDCYP3A4CYP2C19RAB9A
SCHEMBL18199497 0.69 RAB9A (0.49) SMN1; SMN2HPGDCYP3A4CYP2C19RAB9A
SCHEMBL16853213 0.69 TRPV1 (0.40) ALDH1A1SIGMAR1EPHX2EPHX1TAS1R3
SCHEMBL19538672 0.68 PSEN1 (0.36) ALDH1A1HPGDCYP3A4CYP2C19RAB9A

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
US-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2024-06-27 US disclosed
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-08-07 US disclosed
US-10010589-B2 2018-07-03 US disclosed
US-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-11-03 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 (4 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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 ALDH1A1 4240/4885SIGMAR1 4522/4885EPHX2 1256/4885
US-10010589-B2 TYMP, MTAP, TUBB6 ALDH1A1 3205/4885SIGMAR1 3890/4885EPHX2 1459/4885
US-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 ALDH1A1 4240/4885SIGMAR1 4522/4885EPHX2 1256/4885
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof SGMS1, SGMS2, PHOSPHO1 ALDH1A1 4240/4885SIGMAR1 4522/4885EPHX2 1256/4885

“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.