SCHEMBL19956533

SCHEMBL19956533

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HCAR2 Q8TDS4 1/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SLC15A1 P46059 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
MAOB P27338 1/20 0.41
CTSL P07711 1/20 0.41

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
SCHEMBL21861874 0.95 ALDH1A1 (0.49) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL19303305 0.88 ALDH1A1 (0.55) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL14530084 0.87 ALDH1A1 (0.53) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL21861840 0.86 ALDH1A1 (0.49) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL23257955 0.85 ALDH1A1 (0.51) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL22652008 0.85 ALDH1A1 (0.51) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL12890635 0.85 ALDH1A1 (0.51) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL12890754 0.85 ALDH1A1 (0.51) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL12890758 0.85 ALDH1A1 (0.51) ALDH1A1HCAR2KMT2ATDP1MAPK1
SCHEMBL13059632 0.85 ALDH1A1 (0.51) ALDH1A1HCAR2KMT2ATDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2023-04-13 US disclosed
WO-2020064844-A1 TREATMENT OF INFECTIONS ASCENDIS PHARMA A/S (DK) 2020-04-02 WO disclosed
EP-2906617-B1 HYDROGEL PRODRUGS ASCENDIS PHARMA AS (DK) 2018-03-14 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 (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-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS CD2BP2, EPCAM, CD74 ALDH1A1 2397/4885HCAR2 1238/4885KMT2A 3304/4885

“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.