SCHEMBL4132573

SCHEMBL4132573

COc1cccc(C=O)c1OC(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.58
ERN1 O75460 2/20 0.54
TLR2 O60603 1/20 0.54
TLR1 Q15399 1/20 0.54
TLR6 Q9Y2C9 1/20 0.54
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NFE2L2 Q16236 8/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PRMT1 Q99873 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
DRD1 P21728 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL5083611 0.87 DRD1 (0.47) SRCERN1TLR2TLR1TLR6
SCHEMBL1253814 0.86 SRC (0.58) SRCERN1TLR2TLR1TLR6
O-Veratraldehyde SCHEMBL28289918 0.83 SRC (0.67) SRCERN1TLR2TLR1TLR6
O-Veratraldehyde SCHEMBL319070 0.83 SRC (0.67) SRCERN1TLR2TLR1TLR6
O-Veratraldehyde SCHEMBL29923149 0.83 SRC (0.67) SRCERN1TLR2TLR1TLR6
SCHEMBL11684737 0.83 SRC (0.59) SRCERN1TLR2TLR1TLR6
SCHEMBL28000332 0.83 SMN1; SMN2 (0.48) CA1CA2NFE2L2LMNAALDH1A1
SCHEMBL18124583 0.82 ALDH1A1 (0.43) SRCERN1TLR2TLR1TLR6
SCHEMBL10434914 0.82 SRC (0.65) SRCERN1TLR2TLR1TLR6
SCHEMBL18124516 0.81 TSHR (0.48) SRCERN1TLR2TLR1TLR6

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR SRC 3362/4885ERN1 988/4885TLR2 2496/4885

“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.