SCHEMBL26079843

SCHEMBL26079843

C[S+]([O-])C12CC3CC(CC(C)(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
SLC22A1 O15245 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
ADRB3 P13945 1/20 0.30
ACHE P22303 1/20 0.30
OPRK1 P41145 1/20 0.30
MTOR P42345 1/20 0.30
HTT P42858 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 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
SCHEMBL12424284 0.77 GRIN2D (0.36) TSHRSLC22A1GRIN2DGRIN3BLMNA
SCHEMBL733849 0.74 GRIN1 (0.48) TSHRSLC22A1GRIN2DGRIN3BLMNA
SCHEMBL3190483 0.74 GRIN1 (0.48) TSHRSLC22A1GRIN2DGRIN3BLMNA
Bromide SCHEMBL4732099 0.71 GRIN1 (0.46) TSHRSLC22A1GRIN2DGRIN3BLMNA
Methyl Alcohol SCHEMBL28225130 0.69 TSHR (0.48) TSHRSLC22A1GRIN2DGRIN3BLMNA
Dimethylamine SCHEMBL4774387 0.67 GRIN1 (0.50) TSHRSLC22A1GRIN2DGRIN3BLMNA
SCHEMBL12934384 0.67 GRIN1 (0.50) SLC22A1GRIN2DGRIN3BLMNAESR1
SCHEMBL2603141 0.66 GRIN2D (0.39) TSHRSLC22A1GRIN2DGRIN3BLMNA
SCHEMBL9921927 0.64 PKM (0.52) TSHRSLC22A1GRIN2DGRIN3BLMNA
SCHEMBL12877021 0.64 TSHR (0.40) TSHRSLC22A1GRIN2DGRIN3BLMNA

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-20230312571-A1 RING-MODIFIED PROLINE SHORT PEPTIDE COMPOUND AND USE THEREOF FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2023-10-05 US disclosed
US-20230312571-A1 RING-MODIFIED PROLINE SHORT PEPTIDE COMPOUND AND USE THEREOF FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2023-10-05 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-20230312571-A1 RING-MODIFIED PROLINE SHORT PEPTIDE COMPOUND AND USE THEREOF VIP, PREP, PRAP1 TSHR 3278/4885SLC22A1 1215/4885GRIN2D 3234/4885

“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.