SCHEMBL2804276

SCHEMBL2804276

COC(=O)CCCC(=O)c1c(C)[nH]c2ccc(C(=O)O)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 2/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTPN5 P54829 1/20 0.48
APEX1 P27695 1/20 0.48
PSMD14 O00487 1/20 0.46
RECQL P46063 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HCRTR1 O43613 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
NR4A2 P43354 1/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL2804412 0.98 MAPT (0.57) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL2807422 0.93 KDM4E (0.55) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL7216815 0.84 ALDH1A1 (0.56) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL8877563 0.77 ALDH1A1 (0.67) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8529584 0.76 PTPN5 (0.62) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL2810908 0.76 KDM4E (0.58) MAPTKDM4EALDH1A1HPGDTHRB
SCHEMBL3931733 0.75 KDM4E (0.69) MAPTKDM4EALDH1A1HPGDTHRB
SCHEMBL9153934 0.73 NR4A2 (0.64) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL28440147 0.73 PDE4B (0.56) MAPTLMNATDP1NPC1RAB9A
Terephthalic Acid SCHEMBL10444567 0.72 TSHR (0.62) MAPTLMNAHTTALDH1A1SMN1; SMN2

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-20100240718-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 WESTFALISCHE WILHELMS UNIVERSITÄT MÜNSTER (DE) 2010-09-23 US disclosed
EP-2215059-A2 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 Westfälische Wilhelms-Universität Münster (DE) 2010-08-11 EP disclosed
WO-2009040314-A2 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 Westfälische Wilhelms Universität Münster (DE) 2009-04-02 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 (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-20100240718-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 PLD2, PLA2G1B, PLA2G4A MAPT 4523/4885LMNA 2737/4885HTT 4359/4885

“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.