SCHEMBL18181986

SCHEMBL18181986

CCC(=O)Oc1cccc(I)c1COc1cc(F)c(CC)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.37
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
DHODH Q02127 2/20 0.35
MAPT P10636 1/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 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
SCHEMBL18156240 0.91 MRGPRX4 (0.40) MRGPRX4ALDH1A1POLBRAB9ADHODH
SCHEMBL18182457 0.91 MRGPRX4 (0.38) MRGPRX4ALDH1A1POLBRAB9ADHODH
SCHEMBL18183048 0.90 MRGPRX4 (0.41) MRGPRX4ALDH1A1POLBRAB9ADHODH
SCHEMBL18182020 0.90 ALDH1A1 (0.41) MRGPRX4ALDH1A1POLBRAB9ADHODH
SCHEMBL18156442 0.90 ACLY (0.34) MRGPRX4ALDH1A1MAPT
SCHEMBL18182046 0.90 ACLY (0.34) MRGPRX4ALDH1A1MAPT
SCHEMBL18156291 0.90 MRGPRX4 (0.39) MRGPRX4ALDH1A1PTGER1PTGER4PTGER3
SCHEMBL18178557 0.89 MRGPRX4 (0.36) MRGPRX4ALDH1A1POLBRAB9ADHODH
SCHEMBL18182005 0.88 MRGPRX4 (0.36) MRGPRX4ALDH1A1MAPTPTGER1PTGER4
SCHEMBL18183009 0.88 MRGPRX4 (0.40) MRGPRX4ALDH1A1POLB

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 167/4885ALDH1A1 3176/4885POLB 3778/4885

“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.