SCHEMBL18156497

SCHEMBL18156497

CCC(=O)Oc1cccc(CC)c1COc1cc(F)c(CC)cc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.36
GUCY1B2 O75343 6/20 0.35
GUCY1A2 P33402 6/20 0.35
GUCY1A1 Q02108 6/20 0.35
GUCY1B1 Q02153 6/20 0.35
MRGPRX4 Q96LA9 2/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 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
SCHEMBL18181976 0.93 ACLY (0.36) ACLYMRGPRX4ALOX15MEN1ALDH1A1
SCHEMBL18181988 0.93 GUCY1B2 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MRGPRX4
SCHEMBL18182029 0.91 ALDH1A1 (0.39) MRGPRX4ALDH1A1MAPTSMN1; SMN2
SCHEMBL18182248 0.91 MRGPRX4 (0.43) ACLYGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18182023 0.91 SLC22A12 (0.39) ACLYGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18182576 0.91 PTGS1 (0.38) ACLYGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18182590 0.91 LTB4R (0.40) ACLYMRGPRX4MEN1ALDH1A1LMNA
SCHEMBL18178594 0.91 MRGPRX4 (0.38) ACLYGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18183048 0.90 MRGPRX4 (0.41) MRGPRX4ALDH1A1MAPT
SCHEMBL18182574 0.90 ACLY (0.34) ACLYMRGPRX4ALOX15MEN1ALDH1A1

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 ACLY 1774/4885GUCY1B2 3488/4885GUCY1A2 3249/4885

“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.