SCHEMBL18178613

SCHEMBL18178613

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.35
ACLY P53396 1/20 0.34
ACHE P22303 1/20 0.34
PTGER1 P34995 2/20 0.32
SLC22A12 Q96S37 1/20 0.32
GUCY1B2 O75343 2/20 0.32
GUCY1A2 P33402 2/20 0.32
GUCY1A1 Q02108 2/20 0.32
GUCY1B1 Q02153 2/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL18178772 0.93 ACHE (0.36) MRGPRX4ACLYACHESLC22A12MAPT
SCHEMBL18178596 0.90 MRGPRX4 (0.37) MRGPRX4ACLYACHEGUCY1B2GUCY1A2
SCHEMBL18178599 0.90 SLC22A12 (0.38) MRGPRX4ACLYACHESLC22A12GUCY1B2
SCHEMBL18178201 0.90 MRGPRX4 (0.35) MRGPRX4PTGER1SLC22A12GUCY1B2GUCY1A2
SCHEMBL18156230 0.90 ACLY (0.34) MRGPRX4ACLYPTGER1PTGS1PTGS2
SCHEMBL18178606 0.89 PTGS1 (0.36) MRGPRX4ACLYACHESLC22A12GUCY1B2
SCHEMBL18178562 0.89 MRGPRX4 (0.37) MRGPRX4ACLYACHEPTGER1SLC22A12
SCHEMBL18178547 0.89 MRGPRX4 (0.40) MRGPRX4ACLYACHEPTGER1SLC22A12
SCHEMBL18178577 0.89 MRGPRX4 (0.42) MRGPRX4ACLYACHEPTGER1SLC22A12
SCHEMBL18178670 0.89 MAPT (0.35) MRGPRX4ACHEMAPTALDH1A1KDM4E

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 167/4885ACLY 1774/4885ACHE 460/4885

“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.