SCHEMBL18178677

SCHEMBL18178677

CCOc1cccc(OC(=O)CC)c1COc1cc(Cl)c(C)cc1C(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 4/20 0.35
ACHE P22303 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL18178703 0.93 ALDH1A1 (0.36) MRGPRX4ALDH1A1POLBMAPTACHE
SCHEMBL18178658 0.93 SLC22A12 (0.37) MRGPRX4LMNAALDH1A1MAPTACHE
SCHEMBL18178783 0.91 MRGPRX4 (0.38) MRGPRX4LMNAALDH1A1ACHEPTGS1
SCHEMBL18178304 0.91 LMNA (0.39) MRGPRX4LMNAALDH1A1POLBMAPT
SCHEMBL18178699 0.91 ALDH1A1 (0.39) ALDH1A1POLBMAPTKMT2AATM
SCHEMBL18178674 0.91 MRGPRX4 (0.39) MRGPRX4LMNAALDH1A1MAPTACHE
SCHEMBL18178702 0.90 ALDH1A1 (0.33) MRGPRX4LMNAALDH1A1MAPTACHE
SCHEMBL18178670 0.90 MAPT (0.35) MRGPRX4LMNAALDH1A1MAPTACHE
SCHEMBL18183068 0.89 MRGPRX4 (0.39) MRGPRX4LMNAALDH1A1POLBMAPT
SCHEMBL18178692 0.89 MRGPRX4 (0.39) MRGPRX4LMNAMAPTACHEATM

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 167/4885LMNA 4171/4885ALDH1A1 3176/4885

“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.