SCHEMBL18156099

SCHEMBL18156099

CCC(=O)Oc1cccc(F)c1COc1cc(Cl)c(CC)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.39
SGMS2 Q8NHU3 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
INPPL1 O15357 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
DHODH Q02127 2/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL18183023 0.93 MRGPRX4 (0.39) MRGPRX4SGMS2ALDH1A1POLBRAB9A
SCHEMBL18183033 0.93 MRGPRX4 (0.41) MRGPRX4SGMS2ALDH1A1POLBRAB9A
SCHEMBL18182640 0.93 MRGPRX4 (0.41) MRGPRX4SGMS2ALDH1A1POLBRAB9A
SCHEMBL18532845 0.93 MRGPRX4 (0.39) MRGPRX4SGMS2ALDH1A1POLBRAB9A
SCHEMBL18532836 0.91 ALDH1A1 (0.38) MRGPRX4SGMS2ALDH1A1POLBRAB9A
SCHEMBL18156111 0.91 MRGPRX4 (0.40) MRGPRX4ALDH1A1POLBINPPL1MAPT
SCHEMBL18183040 0.91 MRGPRX4 (0.40) MRGPRX4ALDH1A1POLBMAPTKMT2A
SCHEMBL18156505 0.91 MRGPRX4 (0.38) MRGPRX4SGMS2ALDH1A1MAPTKMT2A
SCHEMBL18156269 0.90 MRGPRX4 (0.37) MRGPRX4SGMS2ALDH1A1POLBRAB9A
SCHEMBL18183037 0.90 MRGPRX4 (0.37) MRGPRX4SGMS2ALDH1A1POLBRAB9A

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 MRGPRX4 167/4885SGMS2 1962/4885ALDH1A1 3176/4885

“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.