SCHEMBL18178314

SCHEMBL18178314

COC(=O)Oc1cccc(C)c1COc1cc(Cl)c(C)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.42
TRPV1 Q8NER1 1/20 0.39
LMNA P02545 2/20 0.37
SLC22A12 Q96S37 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RORC P51449 2/20 0.36
SGMS2 Q8NHU3 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
SCHEMBL18178309 0.94 MRGPRX4 (0.42) MRGPRX4LMNAKDM4ENPC1ALDH1A1
SCHEMBL18178308 0.92 MRGPRX4 (0.41) MRGPRX4LMNASMN1; SMN2SGMS2
SCHEMBL18178411 0.91 MRGPRX4 (0.40) MRGPRX4TRPV1LMNASLC22A12KDM4E
SCHEMBL18182035 0.91 MRGPRX4 (0.42) MRGPRX4TRPV1SLC22A12SGMS2
SCHEMBL18178310 0.91 MRGPRX4 (0.40) MRGPRX4LMNAKDM4ENPC1ALDH1A1
SCHEMBL18178312 0.91 MRGPRX4 (0.40) MRGPRX4LMNAKDM4ENPC1ALDH1A1
SCHEMBL18178317 0.91 KCNK3 (0.41) MRGPRX4LMNAALDH1A1
SCHEMBL18178315 0.91 MRGPRX4 (0.44) MRGPRX4LMNAKDM4ENPC1ALDH1A1
SCHEMBL18178316 0.90 MRGPRX4 (0.41) MRGPRX4TRPV1LMNAALDH1A1SMN1; SMN2
SCHEMBL18178679 0.89 MRGPRX4 (0.39) MRGPRX4TRPV1SLC22A12RORC

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 167/4885TRPV1 765/4885LMNA 4171/4885

“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.