SCHEMBL3598783

SCHEMBL3598783

COc1cc(/C=C/C(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.43
ACHE P22303 7/20 0.43
CA2 P00918 3/20 0.41
CA5A P35218 3/20 0.41
CA9 Q16790 3/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL3593033 1.00 BCHE (0.43) BCHEACHECA2CA5ACA9
SCHEMBL3593026 1.00 BCHE (0.43) BCHEACHECA2CA5ACA9
SCHEMBL3588573 0.98 ACHE (0.41) BCHEACHECA2CA5ACA9
SCHEMBL3588580 0.98 ACHE (0.41) BCHEACHECA2CA5ACA9
SCHEMBL3588578 0.98 ACHE (0.41) BCHEACHECA2CA5ACA9
SCHEMBL13254217 0.93 ACHE (0.40) BCHEACHECA2CA5ACA9
SCHEMBL13282284 0.93 ACHE (0.40) BCHEACHECA2CA5ACA9
SCHEMBL3590611 0.93 ACHE (0.41) BCHEACHECA2CA5ACA9
SCHEMBL3590604 0.93 ACHE (0.41) BCHEACHECA2CA5ACA9
SCHEMBL13254298 0.91 ACHE (0.39) BCHEACHECA2CA5ACA9

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 BCHE 3002/4885ACHE 3194/4885CA2 1741/4885

“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.