SCHEMBL18178610

SCHEMBL18178610

CCC(=O)Oc1ccccc1COc1cc(F)c(C)cc1C(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ACHE P22303 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
AKR1C3 P42330 1/20 0.34
MAPT P10636 2/20 0.34
MCL1 Q07820 1/20 0.34
SLC1A5 Q15758 2/20 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
SCHEMBL18178774 0.92 PTGDR2 (0.40) ACLYPTGDR2PARP14PARP10FFAR4
SCHEMBL18183010 0.90 ACLY (0.39) ACLYPTGDR2PARP14PARP10FFAR4
SCHEMBL18178198 0.89 PARP10 (0.40) PTGDR2PARP14PARP10FFAR4MRGPRX4
SCHEMBL18178543 0.88 PTGDR2 (0.41) ACLYPTGDR2PARP14PARP10FFAR4
SCHEMBL18178575 0.88 PTGDR2 (0.44) ACLYPTGDR2PARP14PARP10FFAR4
SCHEMBL18178604 0.88 MRGPRX4 (0.35) ACLYACHEMRGPRX4LMNAMAPK1
SCHEMBL18178700 0.88 PTGDR2 (0.42) PTGDR2FFAR4ACHEMRGPRX4LMNA
SCHEMBL18182896 0.87 PTGDR2 (0.39) ACLYPTGDR2PARP14PARP10FFAR4
SCHEMBL18178586 0.87 PTGDR2 (0.40) ACLYPTGDR2PARP14PARP10FFAR4
SCHEMBL18178606 0.87 PTGS1 (0.36) ACLYACHEMRGPRX4LMNAMAPK1

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 ACLY 1774/4885PTGDR2 4455/4885PARP14 2903/4885

“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.