SCHEMBL68804

SCHEMBL68804

O=[C]C1c2ccccc2Oc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
ATM Q13315 2/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CYP2C9 P11712 1/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9420890 0.77 MAOA (0.52) MAOAMAOBATMHDAC3HDAC4
SCHEMBL6870217 0.77 MAOA (0.52) MAOAMAOBATMHDAC3HDAC4
SCHEMBL68229 0.73 GPR3 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL3236129 0.73 MAOA (0.58) MAOAMAOBATMHDAC3HDAC4
SCHEMBL6996495 0.73 MAOA (0.52) MAOAMAOBATMHDAC3HDAC4
SCHEMBL28001880 0.72 MAOA (0.47) MAOAMAOBATMHDAC3HDAC4
SCHEMBL348100 0.72 MAOA (0.47) MAOAMAOBATMHDAC3HDAC4
SCHEMBL19458502 0.72 MAOA (0.64) MAOAMAOBATMHDAC3HDAC4
SCHEMBL16835547 0.70 MAOA (0.61) MAOAMAOBATMHDAC3HDAC4
SCHEMBL29056534 0.70 MAOA (0.61) MAOAMAOBATMHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102286008-B Xanthene-9-cadmium carboxylate complex and preparation method thereof UNIV ZHENGZHOU LIGHT IND 2013-09-25 CN claimed
US-20120116027-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2012-05-10 US claimed
US-8129087-B2 Block copolymer and substrate processing method CANON KABUSHIKI KAISHA (JP) 2012-03-06 US claimed
CN-102286008-A Xanthene-9-cadmium carboxylate complex and preparation method thereof 2011-12-21 CN claimed
CN-102216325-A Method for purifying human growth hormone polypeptides using affinity resins comprising specific ligands NOVO NORDISK AS 2011-10-12 CN claimed
EP-2356141-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS Novo Nordisk A/S (DK) 2011-08-17 EP claimed
WO-2010055135-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2010-05-20 WO claimed
US-20090311637-A1 BLOCK COPOLYMER AND SUBSTRATE PROCESSING METHOD CANON KABUSHIKI KAISHA (JP) 2009-12-17 US claimed
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 US claimed
US-6262269-B1 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries TREGA BIOSCIENCES, INC. 2001-07-17 US claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO claimed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP claimed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US claimed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO claimed
CN-102286008-B Xanthene-9-cadmium carboxylate complex and preparation method thereof UNIV ZHENGZHOU LIGHT IND 2013-09-25 CN disclosed
US-4035512-A Aminotetralols TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-07-12 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-20120116027-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS GHRHR, GHITM, GHSR MAOA 3261/4885MAOB 3834/4885ATM 4299/4885

“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.