SCHEMBL18178732

SCHEMBL18178732

CCC(=O)Oc1cccc(C)c1COc1cc(C)c(C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.41
ACHE P22303 2/20 0.39
MRGPRX4 Q96LA9 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
SGMS2 Q8NHU3 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 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
SCHEMBL18178651 0.94 SLC22A12 (0.41) SLC22A12ACHEMRGPRX4SMN1; SMN2THRB
SCHEMBL18178719 0.93 KMT2A (0.41) SLC22A12ACHEMRGPRX4SMN1; SMN2KMT2A
SCHEMBL18182006 0.92 SLC22A12 (0.39) SLC22A12ACHEMRGPRX4SMN1; SMN2THRB
SCHEMBL18178554 0.91 SLC22A12 (0.39) SLC22A12ACHEMRGPRX4SMN1; SMN2THRB
SCHEMBL18178721 0.90 MRGPRX4 (0.40) SLC22A12ACHEMRGPRX4KMT2AALDH1A1
SCHEMBL18178730 0.90 MRGPRX4 (0.38) ACHEMRGPRX4SMN1; SMN2KMT2AALDH1A1
SCHEMBL18178748 0.89 ALDH1A1 (0.40) ACHEKMT2AALDH1A1MAPTSGMS2
SCHEMBL18178723 0.89 MRGPRX4 (0.38) SLC22A12ACHEMRGPRX4KMT2AALDH1A1
SCHEMBL18182607 0.89 MRGPRX4 (0.40) SLC22A12ACHEMRGPRX4SMN1; SMN2THRB
SCHEMBL18178714 0.89 ACHE (0.37) SLC22A12ACHEMRGPRX4SMN1; SMN2THRB

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 SLC22A12 4500/4885ACHE 460/4885MRGPRX4 167/4885

“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.