SCHEMBL3205622

SCHEMBL3205622

COC(=O)c1cc(OC)c(CBr)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CNR2 P34972 1/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
NFKB1 P19838 1/20 0.46
XDH P47989 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FUT7 Q11130 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL17184768 0.89 POLB (0.43) MAPTKDM4EALDH1A1CA1CA2
SCHEMBL24856262 0.85 MAPT (0.51) MAPTKDM4EALDH1A1CA1CA2
SCHEMBL10317061 0.83 MAPT (0.50) MAPTKDM4EALDH1A1CA1CA2
SCHEMBL27553337 0.83 CA12 (0.60) CA1CA2CA12CA7CA9
SCHEMBL28563630 0.83 MAPT (0.50) MAPTKDM4EALDH1A1CA1CA2
SCHEMBL11854699 0.81 LOXL2 (0.50) MAPTKDM4EALDH1A1CA1CA2
SCHEMBL918581 0.80 L3MBTL1 (0.48) MAPTKDM4EALDH1A1CA1CA2
SCHEMBL11519001 0.80 MAPT (0.44) MAPTKDM4EALDH1A1CA1CA2
SCHEMBL1176230 0.79 CA12 (0.48) MAPTKDM4EALDH1A1CA1CA2
SCHEMBL733130 0.79 MAPT (0.46) MAPTKDM4EALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110668992-B IDO/HDAC double-target compound and synthetic method and application thereof 华东师范大学 2023-06-09 CN disclosed
CN-110668992-A IDO/HDAC double-target compound and synthetic method and application thereof 华东师范大学 2020-01-10 CN disclosed
US-20100055043-A1 Poly-Halo Metal X-ray Contrast Agents MALLINCKRODT INC. 2010-03-04 US disclosed
US-20100055043-A1 Poly-Halo Metal X-ray Contrast Agents MALLINCKRODT INC. 2010-03-04 US disclosed
US-20100055043-A1 Poly-Halo Metal X-ray Contrast Agents MALLINCKRODT INC. 2010-03-04 US disclosed
EP-2089063-A2 X-RAY CONTRAST AGENTS COMPRISING A METAL CHELATE AND A POLYHALOGENATED PHENOL, THIOPHENOL, RESORCINOL, THIORESORCINOL OR DITHIORESORCINOL Mallinckrodt Inc. (US) 2009-08-19 EP disclosed
WO-2008060399-A2 X-RAY CONTRAST AGENTS COMPRISING A METAL CHELATE AND A POLYHALOGENATED PHENOL, THIOPHENOL, RESORCINOL, THIORESORCINOL OR DITHIORESORCINOL MALLINCKRODT INC. (US) 2008-05-22 WO disclosed
US-5234942-A Treating allergic pulmonary disorders, asthma ICI AMERICAS INC. (US) 1993-08-10 US disclosed
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 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-20100055043-A1 Poly-Halo Metal X-ray Contrast Agents SLC39A3, ZNF277, TPR MAPT 1919/4885KDM4E 3287/4885ALDH1A1 3268/4885

“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.