SCHEMBL18243162

SCHEMBL18243162

Cc1cccc2c1C([O])c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.39
PBRM1 Q86U86 1/20 0.39
GPR3 P46089 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.36
MYC P01106 1/20 0.35
ACHE P22303 2/20 0.35
TSHR P16473 1/20 0.35
HTR2C P28335 2/20 0.34

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
SCHEMBL11783880 0.78 HTR2B (0.51) TNKS2PBRM1GPR3HTR7HTR2B
SCHEMBL358532 0.78 GPR3 (0.39) TNKS2PBRM1GPR3HTR7HTR2B
SCHEMBL31338566 0.78 GPR3 (0.39) TNKS2PBRM1GPR3HTR7HTR2B
SCHEMBL18241886 0.77 GABRA1 (0.38) GPR3POLBACHE
SCHEMBL1667065 0.77 HTR2A (0.41) TNKS2PBRM1GPR3HTR7HTR2B
SCHEMBL7641530 0.76 GPR3 (0.38) TNKS2PBRM1GPR3HTR7HTR2B
SCHEMBL17150269 0.76 GPR3 (0.42) TNKS2PBRM1GPR3HTR7HTR2B
Water SCHEMBL27413384 0.76 HTR2B (0.50) TNKS2PBRM1GPR3HTR7HTR2B
SCHEMBL27499426 0.76 ALDH1A1 (0.39) TNKS2PBRM1GPR3HTR7HTR2B
SCHEMBL18243596 0.76 HDAC3 (0.37) GPR3HTR2BALDH1A1MEN1KMT2A

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
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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 (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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 TNKS2 2517/4885PBRM1 4015/4885GPR3 1674/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TNKS2 2517/4885PBRM1 4015/4885GPR3 1674/4885

“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.