SCHEMBL26850334

SCHEMBL26850334

C=C(O)c1cnccc1C(C)(O)C(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
SIRT3 Q9NTG7 1/20 0.34
KDM4C Q9H3R0 5/20 0.34
KDM6B O15054 2/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KDM4A O75164 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
SLC22A12 Q96S37 3/20 0.31
TBXAS1 P24557 1/20 0.30

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
SCHEMBL26850319 0.88 KDM4C (0.41) TDP1SIRT3KDM4CKDM6BKDM4E
SCHEMBL26850328 0.71 TDP1 (0.34) TDP1SIRT3KDM4CKDM6BKDM4E
SCHEMBL26850305 0.69 TDP1 (0.37) TDP1SIRT3KDM4CKDM6BKDM4E
SCHEMBL1244826 0.66 KDM4C (0.49) TDP1SIRT3KDM4CKDM6BKDM4E
SCHEMBL26841351 0.66 FTO (0.34) TDP1SIRT3KDM4CKDM6BKDM4E
SCHEMBL26841347 0.66 TBXAS1 (0.38) TDP1SIRT3KDM4CKDM6BKDM4E
SCHEMBL14081784 0.63 TDP1 (0.57) TDP1SIRT3KDM4CKDM6BKDM4E
SCHEMBL6626515 0.63 TDP1 (0.43) TDP1SIRT3KDM4CKDM6BKDM4E
SCHEMBL14606352 0.63 NPC1 (0.44) TDP1SIRT3KDM4CKDM6BALDH1A1
SCHEMBL26841357 0.63 KDM4C (0.37) TDP1SIRT3KDM4CKDM6BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372323-A1 Nicotinic Acid Derivative A With Anti-Inflammation and Anti-Platelet Aggregation Activities, and Use Thereof CHONGQING ACADEMY OF CHINESE MATERIA MEDICA (CN) 2023-11-23 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-20230372323-A1 Nicotinic Acid Derivative A With Anti-Inflammation and Anti-Platelet Aggregation Activities, and Use Thereof NAPRT, P2RY1, P2RY10 TDP1 1477/4885SIRT3 400/4885KDM4C 4816/4885

“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.