SCHEMBL22389019

SCHEMBL22389019

CC(CC(C)(C)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SLC15A1 P46059 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSS P25774 2/20 0.43
LMNA P02545 2/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL18265983 0.88 ALDH1A1 (0.51) ALDH1A1SLC15A1HCAR2KMT2AMAPK1
SCHEMBL9011978 0.86 ALDH1A1 (0.50) ALDH1A1SLC15A1HCAR2KMT2AMAPK1
SCHEMBL25925590 0.84 ALDH1A1 (0.47) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL10098419 0.84 ALDH1A1 (0.47) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL12311397 0.81 ALDH1A1 (0.42) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL28247081 0.79 ALDH1A1 (0.46) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL621696 0.79 ALDH1A1 (0.56) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL28371759 0.79 ALDH1A1 (0.56) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL116845 0.79 ALDH1A1 (0.56) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL2736911 0.79 ALDH1A1 (0.49) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1

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-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-08-03 US disclosed
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-09-03 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-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, TEK, BTN3A1 ALDH1A1 4604/4885SLC15A1 262/4885HCAR2 1556/4885
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS CD4, DCLRE1A, TOP1 ALDH1A1 3405/4885SLC15A1 874/4885HCAR2 3343/4885

“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.