SCHEMBL25811618

SCHEMBL25811618

COC(=O)Cc1cccc(C(=O)C(=O)OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC7A5 Q01650 1/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.46
HSP90AB1 P08238 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
MAOB P27338 1/20 0.42
GLA P06280 1/20 0.41
ENPP2 Q13822 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 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
SCHEMBL31455827 0.86 RAB9A (0.61) ALDH1A1MAPK1L3MBTL1SLC7A5SLC6A2
SCHEMBL25811622 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL6115593 0.80 SLC7A5 (0.55) ALDH1A1L3MBTL1SLC7A5TDP1RAB9A
SCHEMBL30489978 0.79 SLC7A5 (0.57) SLC7A5RAB9AMRGPRX4SMN1; SMN2LOXL2
SCHEMBL479999 0.79 SLC7A5 (0.57) SLC7A5RAB9AMRGPRX4SMN1; SMN2LOXL2
SCHEMBL2704297 0.79 TDP1 (0.66) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
Benzyl Benzoate SCHEMBL17459144 0.79 KMT2A (0.72) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL25811695 0.78 PTGS1 (0.64) ALDH1A1MAPK1SLC6A2SLC6A3KMT2A
SCHEMBL23591218 0.77 KMT2A (0.58) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL31310151 0.77 ALDH1A1 (0.69) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-07-13 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-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof CDK9, CDK7, CDK8 ALDH1A1 1645/4885MAPK1 201/4885L3MBTL1 1120/4885

“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.