SCHEMBL18178745

SCHEMBL18178745

CCC(=O)Oc1cccc(F)c1COc1cc(C)c(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.43
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GUCY1B2 O75343 5/20 0.39
GUCY1A2 P33402 5/20 0.39
GUCY1A1 Q02108 5/20 0.39
GUCY1B1 Q02153 5/20 0.39
ACHE P22303 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
PTGER1 P34995 2/20 0.37
PPARD Q03181 1/20 0.37
ACLY P53396 1/20 0.36
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL18178574 0.94 MRGPRX4 (0.44) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178706 0.93 MRGPRX4 (0.40) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18182887 0.92 MRGPRX4 (0.40) MRGPRX4MAPTNPSR1GUCY1B2GUCY1A2
SCHEMBL18530985 0.91 MRGPRX4 (0.40) MRGPRX4MAPTRAB9AGUCY1B2GUCY1A2
SCHEMBL18178768 0.90 GUCY1B2 (0.38) MRGPRX4MAPTNPSR1GUCY1B2GUCY1A2
SCHEMBL18178748 0.89 ALDH1A1 (0.40) MAPTRAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL18182017 0.89 MRGPRX4 (0.43) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178737 0.89 PTGER1 (0.38) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178747 0.88 SLC22A12 (0.47) MRGPRX4MAPTRAB9ANPSR1ACHE
SCHEMBL18178773 0.88 GUCY1B2 (0.37) 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 167/4885MAPT 4572/4885RAB9A 1136/4885

“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.