SCHEMBL18178544

SCHEMBL18178544

CCC(=O)Oc1cccc(Cl)c1COc1cc(F)c(C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37
KMT2A Q03164 1/20 0.37
S1PR5 Q9H228 1/20 0.36
ACHE P22303 1/20 0.36
DHODH Q02127 1/20 0.36
PPARD Q03181 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
SCHEMBL18178716 0.94 ALDH1A1 (0.40) MRGPRX4ALDH1A1POLBRAB9AMAPT
SCHEMBL18178555 0.93 ALDH1A1 (0.39) MRGPRX4ALDH1A1POLBRAB9AMAPT
SCHEMBL18178576 0.93 MRGPRX4 (0.42) MRGPRX4ALDH1A1POLBRAB9AMAPT
SCHEMBL18178638 0.93 ALDH1A1 (0.39) MRGPRX4ALDH1A1POLBRAB9AMAPT
SCHEMBL18178587 0.91 ALDH1A1 (0.38) MRGPRX4ALDH1A1POLBRAB9AMAPT
SCHEMBL18178568 0.90 PTGER1 (0.38) MRGPRX4ALDH1A1POLBRAB9AMAPT
SCHEMBL18156164 0.90 ALDH1A1 (0.39) MRGPRX4ALDH1A1POLBRAB9AMAPT
SCHEMBL18178541 0.90 MRGPRX4 (0.42) MRGPRX4ALDH1A1SGMS2KMT2AACHE
SCHEMBL18178546 0.90 MRGPRX4 (0.42) MRGPRX4ALDH1A1ACHE
SCHEMBL18178591 0.89 ALDH1A1 (0.39) MRGPRX4ALDH1A1POLBRAB9AMAPT

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.