SCHEMBL18178083

SCHEMBL18178083

COC(=O)Oc1cccc(Br)c1COc1ccc(C)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.42
S1PR1 P21453 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
PTGER1 P34995 1/20 0.35
NOTUM Q6P988 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
DHODH Q02127 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
SCHEMBL18178086 0.89 MRGPRX4 (0.43) MRGPRX4S1PR1L3MBTL1HPGDMAPT
SCHEMBL18178089 0.88 MRGPRX4 (0.43) MRGPRX4S1PR1PTGER1
SCHEMBL18178407 0.88 MRGPRX4 (0.39) MRGPRX4L3MBTL1HPGDMAPTNPC1
SCHEMBL18156404 0.88 MRGPRX4 (0.45) MRGPRX4S1PR1L3MBTL1MAPTCYP1A2
SCHEMBL18178092 0.87 MRGPRX4 (0.42) MRGPRX4S1PR1HPGDRXRARXRB
SCHEMBL18178091 0.87 MRGPRX4 (0.42) MRGPRX4S1PR1CYP1A2CYP2C9CYP2C19
SCHEMBL18178161 0.87 MRGPRX4 (0.47) MRGPRX4S1PR1PTGER1
SCHEMBL18178120 0.87 MRGPRX4 (0.42) MRGPRX4S1PR1L3MBTL1HPGDCYP1A2
SCHEMBL18178067 0.87 L3MBTL1 (0.47) L3MBTL1HPGDMAPTNPC1CYP1A2
SCHEMBL18178084 0.86 MRGPRX4 (0.41) MRGPRX4S1PR1HPGDCYP1A2CYP2C19

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 167/4885S1PR1 2632/4885L3MBTL1 401/4885

“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.