SCHEMBL18178599

SCHEMBL18178599

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
MRGPRX4 Q96LA9 3/20 0.37
ACLY P53396 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GUCY1B2 O75343 2/20 0.33
GUCY1A2 P33402 2/20 0.33
GUCY1A1 Q02108 2/20 0.33
GUCY1B1 Q02153 2/20 0.33
LMNA P02545 2/20 0.33
SGMS2 Q8NHU3 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL18178596 0.93 MRGPRX4 (0.37) MRGPRX4ACLYACHEGUCY1B2GUCY1A2
SCHEMBL18178606 0.92 PTGS1 (0.36) SLC22A12MRGPRX4ACLYACHEKDM4E
SCHEMBL18178776 0.92 SLC22A12 (0.40) SLC22A12MRGPRX4ACLYACHEKDM4E
SCHEMBL18178604 0.91 MRGPRX4 (0.35) SLC22A12MRGPRX4ACLYACHEKDM4E
SCHEMBL18183015 0.91 SLC22A12 (0.37) SLC22A12MRGPRX4ACLYACHEKDM4E
SCHEMBL18178591 0.90 ALDH1A1 (0.39) MRGPRX4ALDH1A1SGMS2KMT2AATM
SCHEMBL18178597 0.90 MRGPRX4 (0.35) SLC22A12MRGPRX4ACLYACHEKDM4E
SCHEMBL18178613 0.90 MRGPRX4 (0.35) SLC22A12MRGPRX4ACLYACHEKDM4E
SCHEMBL18178614 0.89 GUCY1B2 (0.35) SLC22A12MRGPRX4ACLYACHEKDM4E
SCHEMBL18178200 0.89 SLC22A12 (0.38) SLC22A12MRGPRX4KDM4EHPGDHSD17B10

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 SLC22A12 4500/4885MRGPRX4 167/4885ACLY 1774/4885

“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.