SCHEMBL7526340

SCHEMBL7526340

O=C(O)COc1cccc2c1CCC(Br)C2=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PTGIR P43119 14/20 0.43
PTGDR Q13258 4/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL7517849 0.88 KDM4E (0.44) DDB1CRBNKDM4EPOLBPTGIR
SCHEMBL7665918 0.86 LMNA (0.49) DDB1CRBNLMNAKDM4EPOLB
SCHEMBL7383487 0.77 ABCB1 (0.52) DDB1CRBNKDM4EPOLBPTGIR
SCHEMBL6957074 0.77 MAPT (0.59) LMNAKDM4EPOLBMAPTALDH1A1
SCHEMBL7517734 0.77 ALDH1A1 (0.44) LMNAKDM4EPOLBMAPTALDH1A1
SCHEMBL7962763 0.77 LMNA (0.42) LMNAKDM4EPOLBMAPTALDH1A1
SCHEMBL7525144 0.75 PTGDR2 (0.40) DDB1CRBNKDM4EPOLBPTGDR2
SCHEMBL1839684 0.75 MRGPRX4 (0.63) KDM4EPOLBPTGIRPTGDRPTGDR2
SCHEMBL28550871 0.75 MRGPRX4 (0.60) KDM4EPOLBPTGIRPTGDRPTGDR2
SCHEMBL8460607 0.72 PTPN1 (0.49) LMNAKDM4EMAPTALDH1A1HPGD

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-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR DDB1 3635/4885CRBN 4007/4885LMNA 2418/4885

“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.