SCHEMBL18182003

SCHEMBL18182003

CCC(=O)Oc1cccc(OC)c1COc1cc(F)c(CC)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MAPT P10636 2/20 0.35
PLK1 P53350 2/20 0.35
ESRRA P11474 2/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAF1 P04049 2/20 0.35
BRAF P15056 2/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL18182369 0.92 MRGPRX4 (0.38) MRGPRX4MEN1LMNAKMT2APARP14
SCHEMBL18182030 0.92 KCNK3 (0.39) MRGPRX4MAPTALDH1A1
SCHEMBL18181990 0.92 MRGPRX4 (0.39) MRGPRX4
SCHEMBL18182433 0.92 MRGPRX4 (0.39) MRGPRX4MAPT
SCHEMBL18182024 0.92 MRGPRX4 (0.39) MRGPRX4
SCHEMBL18183088 0.90 FFAR1 (0.37) MRGPRX4MAPTPLK1RAF1BRAF
SCHEMBL18182435 0.90 MRGPRX4 (0.41) MRGPRX4MAPTALDH1A1
SCHEMBL18182437 0.90 MRGPRX4 (0.38) MRGPRX4ALDH1A1
SCHEMBL18182436 0.89 MRGPRX4 (0.37) MRGPRX4
SCHEMBL18183066 0.89 MRGPRX4 (0.45) MRGPRX4MAPTRAF1BRAF

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 167/4885MEN1 3638/4885LMNA 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.