SCHEMBL2400852

SCHEMBL2400852

COc1cccc(C=Cc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.68
MAOB P27338 2/20 0.62
BCHE P06276 1/20 0.62
NFE2L2 Q16236 2/20 0.62
CYP19A1 P11511 1/20 0.62
CYP1A1 P04798 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP1B1 Q16678 2/20 0.59
FOS P01100 1/20 0.58
JUN P05412 1/20 0.58
NQO2 P16083 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.57
XDH P47989 1/20 0.57
APP P05067 1/20 0.56
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP2D6 P10635 1/20 0.55
SNCA P37840 1/20 0.54

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
SCHEMBL2400847 1.00 RELA (0.68) RELAMAOBBCHENFE2L2CYP19A1
SCHEMBL2400795 0.89 BCHE (0.68) RELAMAOBBCHENFE2L2CYP19A1
SCHEMBL2400804 0.89 BCHE (0.68) RELAMAOBBCHENFE2L2CYP19A1
SCHEMBL28670848 0.87 MAOB (0.84) MAOBBCHECYP1A1CYP1A2CYP1B1
SCHEMBL28670846 0.87 MAOB (0.84) MAOBBCHECYP1A1CYP1A2CYP1B1
SCHEMBL2399827 0.86 NPC1 (0.71) RELAMAOBBCHENFE2L2CYP19A1
SCHEMBL2399830 0.86 NPC1 (0.71) RELAMAOBBCHENFE2L2CYP19A1
SCHEMBL4734779 0.85 CYP1A1 (0.65) CYP19A1CYP1A1CYP1A2CYP1B1NQO2
SCHEMBL4731650 0.85 CYP1A1 (0.65) CYP19A1CYP1A1CYP1A2CYP1B1NQO2
SCHEMBL4734830 0.85 CYP1A1 (0.65) CYP19A1CYP1A1CYP1A2CYP1B1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313546-A1 NUCLEIC ACID BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2025-10-09 US disclosed
EP-4522588-A1 NUCLEIC ACID BINDERS University of Strathclyde (GB) 2025-03-19 EP disclosed
WO-2023218194-A1 NUCLEIC ACID BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2023-11-16 WO disclosed
EP-2066627-B1 NOVEL MINOR GROOVE BINDERS UNIV STRATHCLYDE (GB) 2013-10-23 EP disclosed
US-8012967-B2 Minor groove binders UNIVERSITY OF STRATHCLYDE (GB) 2011-09-06 US disclosed
US-20100016311-A1 NOVEL MINOR GROOVE BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2010-01-21 US disclosed
EP-2066627-A1 NOVEL MINOR GROOVE BINDERS The University of Strathclyde (GB) 2009-06-10 EP disclosed
WO-2008038018-A1 NOVEL MINOR GROOVE BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2008-04-03 WO 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 (2 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-20100016311-A1 NOVEL MINOR GROOVE BINDERS TOP2B, DNA2, CTCF RELA 194/4885MAOB 1076/4885BCHE 4431/4885
US-20250313546-A1 NUCLEIC ACID BINDERS ZFR, NSUN3, POLI RELA 1882/4885MAOB 4686/4885BCHE 4578/4885

“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.