SCHEMBL18178658

SCHEMBL18178658

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.37
ACHE P22303 1/20 0.35
MAPT P10636 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
MRGPRX4 Q96LA9 4/20 0.34
LMNA P02545 2/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
AKR1C3 P42330 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 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 0.94 ALDH1A1 (0.36) ACHEMAPTMRGPRX4PTGER1PTGER4
SCHEMBL18178677 0.93 MRGPRX4 (0.36) ACHEMAPTMRGPRX4LMNANR1H4
SCHEMBL18156134 0.92 MRGPRX4 (0.37) SLC22A12ACHEMAPTSGMS2MRGPRX4
SCHEMBL18178699 0.92 ALDH1A1 (0.39) MAPTSGMS2ALDH1A1GAARAB9A
SCHEMBL18178674 0.92 MRGPRX4 (0.39) ACHEMAPTMRGPRX4LMNAPTGER1
SCHEMBL18178776 0.91 SLC22A12 (0.40) SLC22A12ACHEMAPTSGMS2MRGPRX4
SCHEMBL18178702 0.91 ALDH1A1 (0.33) SLC22A12ACHEMAPTMRGPRX4LMNA
SCHEMBL18178670 0.91 MAPT (0.35) ACHEMAPTMRGPRX4LMNAAKR1C3
SCHEMBL18178668 0.90 MRGPRX4 (0.36) ACHEMAPTMRGPRX4LMNAPTGER1
SCHEMBL18178305 0.89 LMNA (0.38) SLC22A12MAPTSGMS2MRGPRX4LMNA

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 460/4885MAPT 4572/4885

“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.