SCHEMBL7188936

SCHEMBL7188936

COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
MAPT P10636 2/20 0.67
MAPK1 P28482 2/20 0.67
KMT2A Q03164 2/20 0.67
USP2 O75604 1/20 0.67
TLR9 Q9NR96 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
TUBB1 Q9H4B7 4/20 0.67
MCL1 Q07820 4/20 0.61
MAOB P27338 5/20 0.60
MAOA P21397 4/20 0.60
KRAS P01116 1/20 0.60
CYP1A1 P04798 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP1B1 Q16678 1/20 0.59
CYP3A4 P08684 1/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.52

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
SCHEMBL7188944 1.00 MEN1 (0.67) MEN1MAPTMAPK1KMT2AUSP2
SCHEMBL7587229 0.86 TUBB1 (0.62) MEN1MAPTMAPK1KMT2AUSP2
SCHEMBL7613337 0.86 TUBB1 (0.62) MEN1MAPTMAPK1KMT2AUSP2
SCHEMBL7198238 0.85 TUBB1 (0.65) MEN1MAPTMAPK1KMT2AUSP2
SCHEMBL7198237 0.85 TUBB1 (0.65) MEN1MAPTMAPK1KMT2AUSP2
SCHEMBL15304531 0.85 TUBB1 (0.71) MEN1MAPTMAPK1KMT2ATUBB1
SCHEMBL10824463 0.85 TUBB1 (0.76) MEN1MAPTMAPK1KMT2ATUBB1
SCHEMBL10824465 0.85 TUBB1 (0.76) MEN1MAPTMAPK1KMT2ATUBB1
SCHEMBL18226864 0.85 TUBB1 (0.57) MEN1MAPTMAPK1KMT2AUSP2
SCHEMBL18226863 0.85 TUBB1 (0.57) MEN1MAPTMAPK1KMT2AUSP2

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
US-20020143064-A1 Novel use of compounds of the chalcones class AVENTIS PHARMA S.A. (FR) 2002-10-03 US claimed
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US disclosed
US-20020143064-A1 Novel use of compounds of the chalcones class AVENTIS PHARMA S.A. (FR) 2002-10-03 US disclosed
EP-0996432-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUMINSTITUT (DK) 2000-05-03 EP disclosed
WO-1999000114-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUM INSTITUT (DK) 1999-01-07 WO disclosed
EP-0288794-B1 Controlling the growth of tumor tissue with chalcone derivatives MERRELL DOW PHARMA (US) 1994-06-08 EP disclosed
EP-0286083-B1 METHOD OF TREATING MULTIPLE SCLEROSIS WITH CHALCONE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-04 EP disclosed
EP-0287901-B1 METHODS FOR TREATING GOUT WITH CHALCONE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-01 EP disclosed
US-4904697-A Controlling the growth of certain tumor tissue with chalcone derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-02-27 US disclosed
US-4863968-A Methods of treating gout with chalcone derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-09-05 US disclosed
US-4753965-A INHIBITING DESTRUCTION OF MYELIN SHEATH; ANTIMITOTIC MERRELL DOW PHARMACEUTICALS, INC. (US) 1988-06-28 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 (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-20020143064-A1 Novel use of compounds of the chalcones class NR2E1, FLT1, KDR MEN1 1826/4885MAPT 4830/4885MAPK1 1092/4885
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 MEN1 3878/4885MAPT 3817/4885MAPK1 1036/4885

“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.