SCHEMBL18178092

SCHEMBL18178092

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 13/20 0.42
S1PR1 P21453 1/20 0.38
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DHODH Q02127 1/20 0.35
AAK1 Q2M2I8 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
SCHEMBL18178511 0.89 MRGPRX4 (0.40) MRGPRX4S1PR1RXRARXRBRXRG
SCHEMBL18178086 0.89 MRGPRX4 (0.43) MRGPRX4S1PR1RXRARXRBRXRG
SCHEMBL18178089 0.88 MRGPRX4 (0.43) MRGPRX4S1PR1
SCHEMBL18178409 0.88 MRGPRX4 (0.39) MRGPRX4S1PR1RXRARXRBRXRG
SCHEMBL18182924 0.88 MRGPRX4 (0.45) MRGPRX4S1PR1RXRARXRBRXRG
SCHEMBL18178161 0.87 MRGPRX4 (0.47) MRGPRX4S1PR1
SCHEMBL18178083 0.87 MRGPRX4 (0.42) MRGPRX4S1PR1RXRARXRBRXRG
SCHEMBL18178091 0.87 MRGPRX4 (0.42) MRGPRX4S1PR1RXRARXRBRXRG
SCHEMBL18178120 0.87 MRGPRX4 (0.42) MRGPRX4S1PR1RXRARXRBRXRG
SCHEMBL18178084 0.86 MRGPRX4 (0.41) MRGPRX4S1PR1RXRARXRBRXRG

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 2632/4885RXRA 361/4885

“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.