SCHEMBL7017616

SCHEMBL7017616

CNc1ccc(/C=C/C(=O)c2ccc(NC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
CYP3A4 P08684 2/20 0.62
F3 P13726 2/20 0.61
RAB9A P51151 2/20 0.59
NPC1 O15118 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPK1 P28482 1/20 0.59
TNFRSF1A P19438 2/20 0.59
MAOB P27338 3/20 0.57
MAOA P21397 2/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
CYP1B1 Q16678 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
APP P05067 1/20 0.53
PLIN1 O60240 1/20 0.53

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
SCHEMBL7017618 1.00 MAPT (0.65) MAPTCYP3A4F3RAB9ANPC1
SCHEMBL3041737 0.92 MAPT (0.56) MAPTCYP3A4F3RAB9ANPC1
SCHEMBL3053734 0.92 ESR1 (0.67) MAPTCYP3A4F3RAB9ANPC1
SCHEMBL13067818 0.92 TNFRSF1A (0.75) MAPTCYP3A4F3RAB9ANPC1
SCHEMBL3053736 0.92 ESR1 (0.67) MAPTCYP3A4F3RAB9ANPC1
SCHEMBL3041733 0.92 MAPT (0.56) MAPTCYP3A4F3RAB9ANPC1
SCHEMBL9136859 0.87 MAOB (0.72) MAPTMAPK1MAOBMAOALMNA
Chalcone SCHEMBL28281298 0.84 MAPT (0.73) MAPTCYP3A4F3RAB9ANPC1
SCHEMBL13067985 0.82 CYP3A4 (0.53) MAPTCYP3A4F3RAB9ANPC1
SCHEMBL3049930 0.81 TUBB4A (0.49) MAPTCYP3A4F3RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0672953-B1 Photosensitive recording material, photosensitive recording medium, and process for producing hologram using this photosensitive recording medium TOPPAN PRINTING CO LTD (JP) 2003-01-15 EP 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
US-5698345-A CATIONIC POLYMERIZATION OF THERMOSETTING EPOXY OLIGOMER TOPPAN PRINTING CO., LTD. (JP) 1997-12-16 US disclosed
EP-0672953-A2 Photosensitive recording material, photosensitive recording medium, and process for producing hologram using this photosensitive recording medium Toppan Printing Co., Ltd. (JP) 1995-09-20 EP disclosed
US-4636459-A PHOTOINITIATOR AND UNSATURATED MONOMER; PRINTING PLATES FUJI PHOTO FILM CO., LTD. (JP) 1987-01-13 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-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 MAPT 3817/4885CYP3A4 254/4885F3 197/4885

“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.