SCHEMBL4031727

SCHEMBL4031727

O=C(Cc1ccccc1)Cc1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.67
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PKM P14618 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
HSPA5 P11021 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MPO P05164 2/20 0.44
PAM P19021 2/20 0.44
ABCC4 O15439 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL30451705 0.89 AKR1B1 (0.74) AKR1B1HSPA5MPOLMNATSHR
SCHEMBL1737314 0.89 AKR1B1 (0.74) AKR1B1HSPA5MPOLMNATSHR
SCHEMBL17784928 0.85 AKR1B1 (0.53) AKR1B1FNTAFNTBHSPA5GAA
SCHEMBL5793077 0.83 AKR1B1 (0.60) AKR1B1MPOGAAHDAC8HDAC6
SCHEMBL77563 0.82 CES1 (0.70) AKR1B1CES2CES1FNTAFNTB
SCHEMBL8100591 0.82 AKR1B1 (0.69) AKR1B1PKMHSPA5SIGMAR1MPO
SCHEMBL10903391 0.81 NAPRT (0.60) AKR1B1
SCHEMBL72309 0.81 AKR1B1 (1.00) AKR1B1HSPA5GAATSHRMEN1
SCHEMBL30449014 0.81 AKR1B1 (1.00) AKR1B1HSPA5GAATSHRMEN1
SCHEMBL9693670 0.80 CES1 (0.67) AKR1B1CES2CES1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450777-B1 PHARMACEUTICAL COMPOSITION CONTAINING CHALCONE OR ITS DERIVATIVES FOR MATRIX METALLOPROTEINASE INHIBITORY ACTIVITY ANGIOLAB INC (KR) 2013-05-08 EP disclosed
US-7572831-B2 Composition containing chalcone ANGIOLAB, INC. (KR) 2009-08-11 US disclosed
US-20040209952-A1 Composition containing chalcone ANGIOLAB, INC. (KR) 2004-10-21 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-20040209952-A1 Composition containing chalcone MMP25, MMP13, MMP17 AKR1B1 1466/4885CES2 1431/4885CES1 166/4885

“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.