SCHEMBL26763531

SCHEMBL26763531

CCN(CCN(CCN(C)CC(=O)O)CC(=O)NC(C)C)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
SLC6A3 Q01959 1/20 0.40
EYA2 O00167 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL18811750 0.84 TDP1 (0.58) ALDH1A1TDP1ALOX15TSHRCYP2C19
SCHEMBL18811744 0.84 TDP1 (0.58) ALDH1A1TDP1ALOX15TSHRCYP2C19
SCHEMBL18401328 0.84 TDP1 (0.56) ALDH1A1TDP1ALOX15TSHRCYP2C19
SCHEMBL20997750 0.82 TDP1 (0.54) TDP1ALOX15TSHRCYP2C19HRH3
SCHEMBL22766987 0.82 TDP1 (0.54) ALDH1A1TDP1ALOX15TSHRCYP2C19
SCHEMBL29319565 0.81 TDP1 (0.52) TDP1ALOX15TSHRCYP2C19HRH3
SCHEMBL14328745 0.80 TDP1 (0.44) TDP1ALOX15TSHRCYP2C19HRH3
SCHEMBL26038858 0.78 TDP1 (0.45) TDP1ALOX15TSHRCYP2C19HRH3
SCHEMBL24500053 0.77 KMT2A (0.46) ALDH1A1CYP2C19HTTKMT2A
SCHEMBL17190627 0.77 KMT2A (0.38) ALDH1A1TSHRLMNABHMTMEN1

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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 US disclosed
US-20230364274-A1 IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING FIBROBLAST-ACTIVATION PROTEIN-ALPHA (FAP-ALPHA) THE JOHNS HOPKINS UNIVERSTY 2023-11-16 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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF FAP, FIBP, FGFR1 ALDH1A1 2246/4885TDP1 2781/4885ALOX15 2280/4885
US-20230364274-A1 IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING FIBROBLAST-ACTIVATION PROTEIN-ALPHA (FAP-ALPHA) FAP, FIBP, FGFR1 ALDH1A1 2789/4885TDP1 1197/4885ALOX15 4354/4885

“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.