SCHEMBL18156101

SCHEMBL18156101

CCC(=O)Oc1ccccc1COc1cc(Cl)c(CC)cc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
MRGPRX4 Q96LA9 7/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
CLCN2 P51788 1/20 0.38
FABP4 P15090 4/20 0.38
FABP5 Q01469 4/20 0.38
NPC1 O15118 2/20 0.38
FABP3 P05413 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACLY P53396 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL18178643 0.89 PTGDR2 (0.44) HTTTP53MRGPRX4PTGDR2PARP14
SCHEMBL18182170 0.89 HTT (0.42) HTTTP53MRGPRX4PTGDR2PARP14
SCHEMBL18182605 0.89 TP53 (0.46) HTTTP53MRGPRX4PTGDR2FABP4
SCHEMBL18156515 0.89 TP53 (0.46) HTTTP53MRGPRX4PTGDR2FABP4
SCHEMBL18183029 0.89 PARP10 (0.41) HTTPTGDR2PARP14PARP10MEN1
SCHEMBL18183033 0.88 MRGPRX4 (0.41) HTTTP53MRGPRX4FABP4FABP5
SCHEMBL18182843 0.87 PTGDR2 (0.40) HTTMRGPRX4PTGDR2PARP14PARP10
SCHEMBL18532839 0.87 PTGDR2 (0.48) HTTTP53MRGPRX4PTGDR2FABP4
SCHEMBL18183040 0.86 MRGPRX4 (0.40) HTTMRGPRX4PARP14PARP10FABP4
SCHEMBL18156111 0.86 MRGPRX4 (0.40) HTTTP53MRGPRX4FABP4FABP5

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-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-27 US disclosed
EP-3081559-A1 AROMATIC COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-10-19 EP 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-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF ZCCHC8, CBR3, CBX8 HTT 4153/4885TP53 4147/4885MRGPRX4 167/4885

“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.