SCHEMBL18178414

SCHEMBL18178414

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 2/20 0.42
MRGPRX4 Q96LA9 9/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL18178221 0.93 KCNK3 (0.40) KCNK3KCNK9MRGPRX4RXRARXRB
SCHEMBL18182986 0.93 KCNK3 (0.40) KCNK3KCNK9MRGPRX4RXRARXRB
SCHEMBL18178317 0.92 KCNK3 (0.41) KCNK3KCNK9MRGPRX4RXRARXRB
SCHEMBL18178794 0.90 KCNK3 (0.40) KCNK3KCNK9MRGPRX4RXRARXRB
SCHEMBL18178411 0.90 MRGPRX4 (0.40) KCNK3KCNK9MRGPRX4RXRARXRB
SCHEMBL18178413 0.89 MRGPRX4 (0.39) KCNK3KCNK9MRGPRX4RXRARXRB
SCHEMBL18178091 0.88 MRGPRX4 (0.42) KCNK3KCNK9MRGPRX4RXRARXRB
SCHEMBL18178412 0.88 MRGPRX4 (0.39) MRGPRX4
SCHEMBL18178407 0.87 MRGPRX4 (0.39) KCNK3KCNK9MRGPRX4RXRARXRB
SCHEMBL18178410 0.87 MRGPRX4 (0.43) MRGPRX4

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 KCNK3 463/4885KCNK9 626/4885MRGPRX4 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.