SCHEMBL18178660

SCHEMBL18178660

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
MRGPRX4 Q96LA9 3/20 0.37
ACHE P22303 1/20 0.36
AKR1C3 P42330 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL18178662 0.93 MRGPRX4 (0.37) MAPTMRGPRX4ACHEAKR1C3NR1H4
SCHEMBL18178663 0.93 SLC22A12 (0.39) MAPTMRGPRX4ACHEAKR1C3NR1H4
SCHEMBL18530975 0.93 MAPT (0.40) MAPTMRGPRX4ACHEAKR1C3NR1H4
SCHEMBL18178654 0.93 MAPT (0.38) MAPTMRGPRX4ACHEAKR1C3NR1H4
SCHEMBL18530989 0.91 MAPT (0.36) MAPTMRGPRX4ACHEAKR1C3ALDH1A1
SCHEMBL18530972 0.91 MRGPRX4 (0.38) MAPTMRGPRX4ACHEALDH1A1
SCHEMBL18530983 0.91 LMNA (0.36) MAPTMRGPRX4ACHELMNA
SCHEMBL18178725 0.91 ACHE (0.39) MAPTMRGPRX4ACHEALDH1A1SLC22A12
SCHEMBL18178642 0.90 MAPT (0.36) MAPTMRGPRX4ACHEALDH1A1LMNA
SCHEMBL18178669 0.90 ACHE (0.34) MAPTMRGPRX4ACHEAKR1C3NR1H4

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 MAPT 4572/4885MRGPRX4 167/4885ACHE 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.