SCHEMBL21021433

SCHEMBL21021433

Cc1cc(C)c(-c2ccc(F)c(C)c2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.45
PTGS1 P23219 3/20 0.44
RAPGEF4 Q8WZA2 3/20 0.41
DAPK3 O43293 2/20 0.40
NTRK1 P04629 2/20 0.40
PIM1 P11309 2/20 0.40
FLT3 P36888 2/20 0.40
GSK3B P49841 2/20 0.40
ROCK1 Q13464 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
KDR P35968 2/20 0.38
AURKA O14965 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL30601207 0.87 PTGS2 (0.45) PTGS2PTGS1DAPK3NTRK1PIM1
SCHEMBL13087002 0.83 NISCH (0.43) PTGS2RAPGEF4LCKKITSRC
SCHEMBL30507311 0.83 PTGS2 (0.47) PTGS2PTGS1DAPK3NTRK1PIM1
SCHEMBL30122516 0.79 ALDH1A1 (0.39) PTGS2PTGS1RAPGEF4
SCHEMBL5423580 0.78 GRIA1 (0.44) PTGS2PTGS1DAPK3NTRK1PIM1
SCHEMBL19730994 0.78 ALDH1A1 (0.43) RAPGEF4LCKKITSRC
SCHEMBL30507312 0.77 ACHE (0.48) PTGS2PTGS1RAPGEF4
Methyl Alcohol SCHEMBL11123696 0.77 DAPK3 (0.42) PTGS2PTGS1DAPK3NTRK1PIM1
SCHEMBL91695 0.76 ERN1 (0.47) LCKKITSRC
SCHEMBL91666 0.76 RAPGEF4 (0.34) PTGS2RAPGEF4

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-2023134698-A1 PYRIDAZINE-1(6H)-6-OXO COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 深圳信立泰药业股份有限公司 2023-07-20 WO disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 PTGS2 3724/4885PTGS1 4519/4885RAPGEF4 3208/4885

“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.