SCHEMBL21391871

SCHEMBL21391871

CCCCCOc1ccccc1OCCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
EBP Q15125 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTT P42858 1/20 0.45
PPARG P37231 2/20 0.45

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
SCHEMBL21391872 0.94 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL19806810 0.90 HTT (0.51) CYP1A2CYP2C9CYP2C19MEN1LMNA
1-Isopentoxy-2-Butoxybenzene SCHEMBL2848360 0.87 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL6651604 0.86 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL30096940 0.86 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL9387360 0.84 LMNA (0.62) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL2859001 0.84 LMNA (0.62) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL2245919 0.84 LMNA (0.62) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL1778134 0.84 LMNA (0.62) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL1964196 0.84 LMNA (0.62) CYP1A2CYP2C9CYP2C19MEN1NR1I2

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-11034720-B2 Thiol-yne based peptide stapling and uses thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-06-15 US disclosed
US-20190292218-A1 THIOL-YNE BASED PEPTIDE STAPLING AND USES THEREOF UNIVERSITY OF UTAH 2019-09-26 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 (2 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-20190292218-A1 THIOL-YNE BASED PEPTIDE STAPLING AND USES THEREOF IAPP, TP53, GLP1R CYP1A2 4369/4885CYP2C9 4111/4885CYP2C19 4281/4885
US-11034720-B2 Thiol-yne based peptide stapling and uses thereof IAPP, TP53, GLP1R CYP1A2 4369/4885CYP2C9 4111/4885CYP2C19 4281/4885

“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.