SCHEMBL7517849

SCHEMBL7517849

O=C(O)COc1cccc2c1CC(Br)C2=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
PTGIR P43119 10/20 0.41
PTGDR Q13258 3/20 0.41
ACHE P22303 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CD69 Q07108 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
SCHEMBL7526340 0.88 DDB1 (0.44) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL8460607 0.83 PTPN1 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL7525144 0.79 PTGDR2 (0.40) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL7962737 0.78 ABCB1 (0.39) KDM4EPOLBACHE
SCHEMBL8099246 0.77 ACHE (0.45) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL7822661 0.77 AKR1B1 (0.40) KDM4ETDP1ACHE
SCHEMBL7976448 0.76 KDM4E (0.36) KDM4EALDH1A1POLBSMN1; SMN2ACHE
SCHEMBL9094161 0.76 TOP1 (0.51) ALDH1A1POLBSMN1; SMN2ACHEHSD17B10
SCHEMBL7522357 0.76 ALDH1A1 (0.44) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL7962739 0.76 ACHE (0.37) KDM4EPOLBACHE

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 KDM4E 4000/4885ALDH1A1 1662/4885HPGD 376/4885

“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.