SCHEMBL18178508

SCHEMBL18178508

CCOc1cccc(OC(=O)CC)c1COc1ccc(C)cc1C(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.37
KCNMA1 Q12791 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
KCNB1 Q14721 1/20 0.35
ACHE P22303 2/20 0.34
ALOX15 P16050 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
CTSA P10619 1/20 0.33
PTGS1 P23219 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
SCHEMBL18178500 0.91 SLC22A12 (0.39) MRGPRX4MAPTL3MBTL1RAB9AHPGD
SCHEMBL18178505 0.90 KDM4E (0.37) MRGPRX4MAPTL3MBTL1RAB9AHPGD
SCHEMBL18178082 0.90 KCNMA1 (0.38) MRGPRX4KCNMA1MAPTL3MBTL1RAB9A
SCHEMBL18178503 0.90 MRGPRX4 (0.41) MRGPRX4MAPT
SCHEMBL18178499 0.89 MAPT (0.37) MRGPRX4MAPTL3MBTL1RAB9AHPGD
SCHEMBL18178502 0.89 MRGPRX4 (0.35) MRGPRX4KCNMA1MAPTL3MBTL1RAB9A
SCHEMBL18178504 0.89 MRGPRX4 (0.40) MRGPRX4MAPTL3MBTL1RAB9AATM
SCHEMBL18178506 0.88 KMT2A (0.35) MRGPRX4MAPTL3MBTL1RAB9AHPGD
SCHEMBL18182236 0.88 ALOX15 (0.39) MRGPRX4MAPTL3MBTL1TDP1ALDH1A1
SCHEMBL18178783 0.87 MRGPRX4 (0.38) MRGPRX4L3MBTL1HPGDALDH1A1KMT2A

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 167/4885KCNMA1 1196/4885MAPT 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.