SCHEMBL18178666

SCHEMBL18178666

CCC(=O)Oc1cccc(F)c1COc1cc(Cl)c(C)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SGMS2 Q8NHU3 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.36
DHODH Q02127 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GUCY1B2 O75343 1/20 0.36
GUCY1A2 P33402 1/20 0.36
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 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
SCHEMBL18178737 0.91 PTGER1 (0.38) PTGER1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178566 0.90 PTGER1 (0.38) PTGER1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178660 0.90 MAPT (0.38) ALDH1A1RAB9AMAPT
SCHEMBL18530985 0.90 MRGPRX4 (0.40) PTGER1ALDH1A1SGMS2POLBRAB9A
SCHEMBL18178653 0.90 ALDH1A1 (0.39) ALDH1A1SGMS2POLBRAB9AMAPT
SCHEMBL18178639 0.90 ALDH1A1 (0.39) ALDH1A1SGMS2POLBRAB9AMAPT
SCHEMBL18178662 0.90 MRGPRX4 (0.37) PTGER1SGMS2MAPT
SCHEMBL18178663 0.90 SLC22A12 (0.39) ALDH1A1SGMS2RAB9AMAPT
SCHEMBL18156269 0.89 MRGPRX4 (0.37) PTGER1ALDH1A1SGMS2POLBRAB9A
SCHEMBL18178262 0.89 SGMS2 (0.39) PTGER1ALDH1A1SGMS2POLBRAB9A

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 PTGER1 4234/4885ALDH1A1 3176/4885SGMS2 1962/4885

“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.