SCHEMBL68229

SCHEMBL68229

O=[C]C1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.41
HTR2A P28223 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
PIM1 P11309 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 2/20 0.35
CDC25B P30305 1/20 0.35
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL7447699 0.78 MEN1 (0.39) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL6340857 0.78 CHRNB2 (0.41) HDAC4HDAC8HDAC6ALDH1A1
SCHEMBL7465165 0.77 CYP1A2 (0.56) GPR3KMT2AMEN1CYP1A2ALDH1A1
SCHEMBL7478185 0.77 PTPRC (0.49) GPR3POLBKMT2AMEN1CYP1A2
SCHEMBL8910992 0.77 CES1 (0.44) HTR2AHDAC4HDAC7HDAC5KMT2A
SCHEMBL8910040 0.75 HTR2A (0.45) HTR2APOLBKMT2AMEN1ALDH1A1
SCHEMBL5084440 0.74 GPR3 (0.41) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL5521800 0.74 PIM1 (0.62) NCOR2PIM1POLBKMT2AMEN1
SCHEMBL2747277 0.74 GPR3 (0.41) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL6648437 0.74 PIM1 (0.56) GPR3HTR2AHDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115461056-B Inhibitors of Lebaba-specific tyrosine phosphatase (LYP) 普渡研究基金会 2024-04-16 CN claimed
CN-107200759-B Method for synthesizing Quzhazhigan 昆药集团股份有限公司 2020-04-24 CN claimed
CN-103081236-B Anisotropic conductive adhesive film and curing agent ASAHI KASEI E-MATERIALS CORP. (JP) 2016-03-09 CN claimed
US-8779128-B2 Oligonucleotide analogues having modified intersubunit linkages and/or terminal groups SAREPTA THERAPEUTICS, INC. (US) 2014-07-15 US claimed
CN-103081236-A Anisotropic conductive adhesive film and curing agent ASAHI KASEI E MATERIALS CORP 2013-05-01 CN claimed
EP-2576574-A2 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS Sarepta Therapeutics, Inc. (US) 2013-04-10 EP claimed
US-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2012-03-15 US claimed
US-8129087-B2 Block copolymer and substrate processing method CANON KABUSHIKI KAISHA (JP) 2012-03-06 US claimed
US-8080522-B2 Polyethlene glycol modifications of thymosin alpha-1 Institute of Pharmacology and Toxicology Academy of Military Mecical Sciences, P.L.A., China (CN) 2011-12-20 US claimed
WO-2011150408-A2 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS AVI BIOPHARMA, INC. (US) 2011-12-01 WO claimed
US-5721210-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS OR INTEGRIN RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1998-02-24 US claimed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO claimed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP claimed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO claimed
CN-1089261-A The 1-acylpiperidine compounds CIBA GEIGY AG (CH) 1994-07-13 CN claimed
EP-0538399-A4 1994-05-04 EP claimed
EP-0538399-A1 CYCLIC CELL ADHESION MODULATION COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 1993-04-28 EP claimed
WO-1992000995-A1 CYCLIC CELL ADHESION MODULATION COMPOUNDS TANABE SEIYAKU CO. LTD. (JP) 1992-01-23 WO claimed
US-4461906-A IMPROVING INTELLECTUAL CAPACITY HOFFMANN-LA ROCHE INC. (US) 1984-07-24 US claimed
US-4452807-A CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. (US) 1984-06-05 US claimed

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-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB GPR3 4317/4885HTR2A 4645/4885HDAC3 1297/4885

“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.