SCHEMBL7255121

SCHEMBL7255121

CC#CC(C(=O)O)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
PIN1 Q13526 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TRPA1 O75762 1/20 0.32
MMP8 P22894 1/20 0.32
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL30165654 0.78 SMN1; SMN2 (0.36) KMT2AFFAR1
SCHEMBL11231623 0.77 GAA (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL31074909 0.77 MEN1 (0.41) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL19900726 0.74 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL30165656 0.73 CTSK (0.33) LMNAGAAMEN1KMT2A
SCHEMBL9091558 0.70 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL9705616 0.69 MEN1 (0.45) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL9439827 0.69 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL705238 0.69
SCHEMBL11307457 0.68 LDHA (0.33) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113444041-B Method for synthesizing polysubstituted quinoline compound by photocatalysis 安徽理工大学 2023-10-03 CN disclosed
US-20030105102-A1 Oxo-substituted compounds, process of making, and compositions and methods for inhibiting PARP activity GUILFORD PHARMACEUTICALS INC. 2003-06-05 US disclosed
US-20020022636-A1 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. 2002-02-21 US disclosed
US-6235748-B1 CENTRAL NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2001-05-22 US disclosed
EP-1009739-A2 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-06-21 EP disclosed
WO-1999011624-A1 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1999-03-11 WO 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-20020022636-A1 OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY PARP2, PARP1, PARP3 ALDH1A1 1064/4885LMNA 330/4885HSD17B10 776/4885
US-20030105102-A1 Oxo-substituted compounds, process of making, and compositions and methods for inhibiting PARP activity PARP1, PARP3, PARP2 ALDH1A1 870/4885LMNA 199/4885HSD17B10 789/4885

“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.