SCHEMBL4259409

SCHEMBL4259409

O=[C]c1cc2cc(O)ccc2cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
ESR2 Q92731 9/20 0.42
ESR1 P03372 8/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SRC P12931 1/20 0.41
ABL1 P00519 1/20 0.39
ABCB1 P08183 1/20 0.39
BCR P11274 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B1 P14061 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B2 P37059 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL10466274 0.82 TDP1 (0.39) CYP1A2CYP3A4ALOX15HIF1AHSD17B10
SCHEMBL691452 0.81 TRPM4 (0.41) CYP1A2TDP1MEN1NPC1RAB9A
SCHEMBL3203555 0.78 CYP1A2 (0.62) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL910590 0.76 CES2 (0.44) ESR2ESR1ALOX15TSHRMEN1
SCHEMBL476017 0.76 NR1H3 (0.45) CYP1A2ESR2ESR1ALOX15TSHR
SCHEMBL23371164 0.73 CYP1A2 (0.56) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL1434691 0.72 CYP1A2 (0.50) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL3451975 0.72 CYP1A2 (0.78) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL392290 0.72 CYP1A2 (0.68) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL29973107 0.72 CYP1A2 (0.68) CYP1A2ESR2ESR1CYP3A4ALOX15

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090300800-A1 D-Amino Acid a Selectable Marker for Barley (Hordeum Vulgare L.) Transformation BASF PLANT SCIENCE GMBH (DE) 2009-12-03 US claimed
US-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PARAECIS PHARMACEUTICALS, INC. (US) 2007-10-25 US claimed
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARMACEUTICALS, INC. (US) 2006-01-19 US claimed
EP-0929574-B1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARM INC (US) 2005-06-29 EP claimed
US-20020103134-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARMACEUTICALS INC. 2002-08-01 US claimed
US-6303567-B1 FOR DIAGNOSIS AND THERAPY OF AMYLOIDOGENIC DISEASES SUCH AS ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INC . 2001-10-16 US claimed
US-5985242-A PEPTIDE OF 3 TO 5 D-AMINO ACIDS; MAY BE MODIFIED AT AMINO-AND/OR CARBOXY TERMINUS; FOR TREATMENT OF AMYLOIDOSIS, ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INC. (US) 1999-11-16 US claimed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP claimed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS 1998-05-28 WO claimed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO claimed
US-20090300800-A1 D-Amino Acid a Selectable Marker for Barley (Hordeum Vulgare L.) Transformation BASF PLANT SCIENCE GMBH (DE) 2009-12-03 US disclosed
US-20090106856-A1 Selection System for Wheat BASF PLANT SCIENCE GMBH (DE) 2009-04-23 US disclosed
US-20090083883-A1 D-Amino Acid Selection For Soybean BASF PLANT SCIENCE GMBH (DE) 2009-03-26 US disclosed
US-20090038025-A1 Selection system for maize transformation BASF PLANT SCIENCE GMBH (DE) 2009-02-05 US disclosed
EP-1996712-A2 D-AMINO ACID SELECTION FOR SOYBEAN BASF Plant Science GmbH (DE) 2008-12-03 EP disclosed
US-6277826-B1 CONSISTING OF D-LEUCINE, D-PHENYLALANINE AND D-VALINE; PEPTIDE IS MODIFIED AT THE AMINO-TERMINUS, THE CARBOXY-TERMINUS, OR BOTH WITH AN AMIDE OR A HYDROXY GROUP PRAECIS PHARMACEUTICALS, INC. 2001-08-21 US disclosed
US-5985242-A PEPTIDE OF 3 TO 5 D-AMINO ACIDS; MAY BE MODIFIED AT AMINO-AND/OR CARBOXY TERMINUS; FOR TREATMENT OF AMYLOIDOSIS, ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP disclosed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS 1998-05-28 WO disclosed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 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 (3 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-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 CYP1A2 4155/4885ESR2 1939/4885ESR1 3309/4885
US-20020103134-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids IAPP, APP, VIP CYP1A2 4072/4885ESR2 2069/4885ESR1 3746/4885
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 CYP1A2 4155/4885ESR2 1939/4885ESR1 3309/4885

“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.