SCHEMBL6403493

SCHEMBL6403493

BrC(Br)=Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
CYP1A2 P05177 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
CYP2C19 P33261 1/20 0.59
PTGS2 P35354 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HIF1A Q16665 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
NR1H4 Q96RI1 1/20 0.57
GSK3B P49841 2/20 0.56
BACE1 P56817 2/20 0.56
GAA P10253 3/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 3/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
LCK P06239 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL10990566 0.83 LMNA (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9586063 0.82 MAOB (0.65) KDM4ELCKMEN1KMT2AALDH1A1
SCHEMBL3662420 0.81 NR1H4 (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3662418 0.81 NR1H4 (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6333531 0.80 NR1H4 (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9652699 0.80 NR1H4 (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL13755053 0.80 NR1H4 (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6333529 0.80 NR1H4 (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9652694 0.80 NR1H4 (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6955487 0.80 NR1H4 (0.70) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160143878-A1 ANTIBACTERIAL AGENT JUNTENDO EDUCATIONAL FOUNDATION (JP) 2016-05-26 US disclosed
US-20150322033-A1 ANTIBACTERIAL AGENT JUNTENDO EDUCATIONAL FOUNDATION (JP) 2015-11-12 US disclosed
US-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US disclosed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
EP-0489877-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 2-AMINO-6-PHENYL-4H-PYRAN-4-ONES UPJOHN CO (US) 1995-09-20 EP disclosed
US-5252735-A Antiatherosclerotic and antithrombotic 2-amino-6-phenyl-4H-pyran-4-ones THE UPJOHN COMPANY (US) 1993-10-12 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 (3 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-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof CCR1, CCL2, CCR5 LMNA 3615/4885CYP1A2 499/4885PTGS1 362/4885
US-20160143878-A1 ANTIBACTERIAL AGENT MRPL21, Q6ZSR9, NQO2 LMNA 4208/4885CYP1A2 445/4885PTGS1 1676/4885
US-20150322033-A1 ANTIBACTERIAL AGENT Q6ZSR9, MRPL21, NQO2 LMNA 4085/4885CYP1A2 507/4885PTGS1 1819/4885

“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.