SCHEMBL24915134

SCHEMBL24915134

CC(C)(O)Cn1cccc(CO)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.34
VEGFA P15692 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
ALDH1A1 P00352 3/20 0.32
PTGER3 P43115 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL26794457 0.79 PKM (0.43) VEGFAEGLN1PTGER3MMP2MMP9
SCHEMBL23554690 0.79 ALDH1A1 (0.41) VEGFAEGLN1ALDH1A1PTGER3KDM4E
SCHEMBL24915136 0.78 KAT2B (0.39)
SCHEMBL5071368 0.76 CNR2 (0.44) ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL24915137 0.75 HDAC3 (0.39) ALDH1A1MEN1KMT2AHDAC3HDAC4
SCHEMBL217169 0.73 CNR1 (0.46) ALDH1A1KDM4EHDAC3HDAC4HDAC1
SCHEMBL17577713 0.72 KDM4E (0.56) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23530256 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EHDAC3HDAC4HDAC1
SCHEMBL3584828 0.72 PARP1 (0.58) TLR7ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL15470653 0.72 NPC1 (0.45) TLR7TSHRNPSR1

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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 LIPG 3528/4885VEGFA 2474/4885EGLN1 2642/4885

“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.