SCHEMBL10092579

SCHEMBL10092579

CC(=O)[C@@H](C)CCC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.48
CDC25B P30305 1/20 0.48
SLC15A1 P46059 2/20 0.46
NOTUM Q6P988 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ELANE P08246 1/20 0.43
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL12564571 0.89 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL18709165 0.89 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL17949819 0.89 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL8224834 0.89 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL26477155 0.86 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL6427243 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL4890742 0.85 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL24591323 0.85 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL27489823 0.85 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL4908110 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2ALMNA

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-9386938-B2 Methods for collagen imaging Collagen Medical, LLC (US) 2016-07-12 US disclosed
US-20120114557-A1 Methods for Collagen Imaging Collagen Medical, LLC (US) 2012-05-10 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-20120114557-A1 Methods for Collagen Imaging COL14A1, COL2A1, COL1A1 ALDH1A1 4523/4885MAPK1 4759/4885L3MBTL1 3477/4885

“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.