SCHEMBL18178593

SCHEMBL18178593

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.38
GUCY1B2 O75343 10/20 0.38
GUCY1A2 P33402 10/20 0.38
GUCY1A1 Q02108 10/20 0.38
GUCY1B1 Q02153 10/20 0.38
ACHE P22303 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
PTGER1 P34995 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 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
SCHEMBL18178768 0.94 GUCY1B2 (0.38) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178590 0.93 SLC22A12 (0.39) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178594 0.93 MRGPRX4 (0.38) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178595 0.91 PTGS1 (0.37) MRGPRX4ACHELTB4RLTB4R2LMNA
SCHEMBL18182893 0.91 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ACHE
SCHEMBL18182017 0.91 MRGPRX4 (0.43) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178546 0.91 MRGPRX4 (0.42) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178574 0.91 MRGPRX4 (0.44) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18181988 0.91 GUCY1B2 (0.39) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178589 0.90 MRGPRX4 (0.36) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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-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

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 167/4885GUCY1B2 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.