SCHEMBL21989009

SCHEMBL21989009

CC(C)(CCC(=O)O)OCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
THRB P10828 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 2/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.39
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 4/20 0.36
GABRP O00591 3/20 0.36
GABRD O14764 3/20 0.36
GABRA1 P14867 3/20 0.36
GABRB1 P18505 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA2 P47869 3/20 0.36
GABRB2 P47870 3/20 0.36

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
SCHEMBL27334341 0.86 NFKB1 (0.45) ALDH1A1THRBKMT2ACYP1A2MEN1
SCHEMBL16204457 0.82 NAALAD2 (0.40) ALDH1A1THRBKMT2ACYP1A2MEN1
SCHEMBL19490640 0.81
SCHEMBL17297657 0.80 ALDH1A1 (0.36) ALDH1A1THRBKMT2ACYP1A2MEN1
SCHEMBL28184813 0.80 ALDH1A1 (0.42) ALDH1A1THRBKMT2ACYP1A2MEN1
SCHEMBL24168564 0.79 ALDH1A1 (0.42) ALDH1A1THRBKMT2ACYP1A2MEN1
SCHEMBL4967281 0.78 ALDH1A1 (0.41) ALDH1A1THRBKMT2ACYP1A2MEN1
SCHEMBL18881070 0.77 THRB (0.42) ALDH1A1THRBKMT2ACYP1A2MEN1
SCHEMBL20581998 0.77 NAALAD2 (0.42) ALDH1A1THRBKMT2ACYP1A2MEN1
SCHEMBL20374757 0.77 NAALAD2 (0.38) ALDH1A1THRBKMT2ACYP1A2MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2024-06-27 US disclosed
US-11807660-B2 Peptide compound and application thereof, and composition containing peptide compound XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2023-11-07 US disclosed
US-20220213142-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2022-07-07 US disclosed
US-20210403506-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2021-12-30 US disclosed
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 US disclosed
EP-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 EP 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 (5 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-20220213142-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, SSTR3 ALDH1A1 4826/4885THRB 215/4885KMT2A 1706/4885
US-20210403506-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME VIP, NGLY1, PEPD ALDH1A1 4702/4885THRB 1524/4885KMT2A 3877/4885
US-11807660-B2 Peptide compound and application thereof, and composition containing peptide compound KISS1R, VIP, SSTR3 ALDH1A1 4826/4885THRB 215/4885KMT2A 1706/4885
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R ALDH1A1 4326/4885THRB 992/4885KMT2A 3979/4885
US-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME VIP, NGLY1, FURIN ALDH1A1 4220/4885THRB 1310/4885KMT2A 4140/4885

“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.