SCHEMBL18178518

SCHEMBL18178518

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
MRGPRX4 Q96LA9 10/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
AR P10275 1/20 0.38
CTSS P25774 1/20 0.38
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL18178091 0.90 MRGPRX4 (0.42) RXRARXRBRXRGMRGPRX4KCNK3
SCHEMBL18178514 0.90 MRGPRX4 (0.42) RXRARXRBRXRGMRGPRX4FFAR1
SCHEMBL18178513 0.89 MRGPRX4 (0.43) RXRARXRBRXRGMRGPRX4
SCHEMBL18178515 0.89 MRGPRX4 (0.41) RXRARXRBRXRGMRGPRX4FFAR1
SCHEMBL18178511 0.88 MRGPRX4 (0.40) RXRARXRBRXRGMRGPRX4FFAR1
SCHEMBL18178512 0.88 MRGPRX4 (0.43) MRGPRX4
SCHEMBL18181983 0.88 RXRA (0.47) RXRARXRBRXRGMRGPRX4KCNK3
SCHEMBL18178794 0.88 KCNK3 (0.40) RXRARXRBRXRGMRGPRX4KCNK3
SCHEMBL18178517 0.87 MRGPRX4 (0.40) RXRARXRBRXRGMRGPRX4FFAR1
SCHEMBL18178516 0.86 MRGPRX4 (0.39) RXRARXRBRXRGMRGPRX4FFAR1

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 RXRA 361/4885RXRB 644/4885RXRG 599/4885

“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.