SCHEMBL2598083

SCHEMBL2598083

CCc1cc(C=CC(=O)c2ccc(SC)cc2)cc(CC)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
LMNA P02545 4/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 2/20 0.63
RAB9A P51151 2/20 0.63
GAA P10253 1/20 0.63
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NPC1 O15118 1/20 0.58
NFKB1 P19838 1/20 0.58
HTT P42858 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL2598082 1.00 MAPT (0.63) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL9339697 0.84 MAPT (0.68) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL9339706 0.84 MAPT (0.68) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL499504 0.83 MEN1 (0.67) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL499505 0.83 MEN1 (0.67) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL4462257 0.82 MAPT (0.65) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL4462260 0.82 MAPT (0.65) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL9915661 0.80 MAPT (0.87) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL11815668 0.80 MAPT (0.87) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL11815663 0.80 MAPT (0.87) MAPTLMNAKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571843-B1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2017-12-27 EP disclosed
US-8765992-B2 Preparation of chalcone derivatives GENFIT (FR) 2014-07-01 US disclosed
US-20130131372-A1 PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2013-05-23 US disclosed
EP-2571843-A1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES Genfit (FR) 2013-03-27 EP disclosed
WO-2011144579-A1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2011-11-24 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 (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-20130131372-A1 PREPARATION OF CHALCONE DERIVATIVES SULT1E1, HCCS, STS MAPT 4724/4885LMNA 3079/4885KMT2A 3755/4885

“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.