SCHEMBL18178548

SCHEMBL18178548

CCOc1cccc(OC(=O)CC)c1COc1cc(F)c(C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ACHE P22303 1/20 0.37
STING1 Q86WV6 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
ACLY P53396 1/20 0.35
MAPT P10636 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
FFAR1 O14842 2/20 0.34
PPARD Q03181 1/20 0.34
GUCY1B2 O75343 2/20 0.34
GUCY1A2 P33402 2/20 0.34
GUCY1A1 Q02108 2/20 0.34
GUCY1B1 Q02153 2/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL18178746 0.94 PTGS1 (0.39) MRGPRX4PTGS1PTGS2ACHESTING1
SCHEMBL18178585 0.93 MRGPRX4 (0.43) MRGPRX4PTGS1PTGS2ACHESTING1
SCHEMBL18178595 0.91 PTGS1 (0.37) MRGPRX4PTGS1PTGS2ACHESTING1
SCHEMBL18178546 0.91 MRGPRX4 (0.42) MRGPRX4ACHEALDH1A1ACLYSLC22A12
SCHEMBL18178541 0.91 MRGPRX4 (0.42) MRGPRX4ACHEALDH1A1ACLYSLC22A12
SCHEMBL18178559 0.90 ALDH1A1 (0.40) MRGPRX4PTGS1PTGS2ACHESTING1
SCHEMBL18178569 0.90 PTGS1 (0.36) MRGPRX4PTGS1PTGS2ACHESTING1
SCHEMBL18178644 0.90 ALDH1A1 (0.40) MRGPRX4PTGS1PTGS2ACHEALDH1A1
SCHEMBL18178606 0.90 PTGS1 (0.36) MRGPRX4PTGS1PTGS2ACHESTING1
SCHEMBL18178142 0.90 MRGPRX4 (0.40) MRGPRX4PTGS1PTGS2STING1ALDH1A1

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 167/4885PTGS1 4413/4885PTGS2 4649/4885

“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.