SCHEMBL4959541

SCHEMBL4959541

O=C1Cc2ccccc2C1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 6/20 0.60
HTR2A P28223 4/20 0.47
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
HRH1 P35367 2/20 0.42
HTR2C P28335 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
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
SCHEMBL30873765 1.00 ANPEP (0.60) ANPEPHTR2ALMNATP53GAA
SCHEMBL1722733 0.82 GAA (0.51) ANPEPHTR2ALMNATP53GAA
SCHEMBL20305895 0.79 DRD1 (0.44) ANPEPHTR2AGAAHPGD
SCHEMBL877352 0.76 MAPT (0.52) LMNATP53GAAHTR2CCYP1A2
SCHEMBL28518727 0.75 ANPEP (1.00) ANPEPHTR2AHRH1HTR2CCYP1A2
SCHEMBL18999729 0.75 ANPEP (1.00) ANPEPHTR2AHRH1HTR2CCYP1A2
SCHEMBL1143328 0.74 GAA (0.59) HTR2ALMNATP53GAAHPGD
SCHEMBL6466596 0.73 ANPEP (0.56) ANPEPHTR2ALMNAGAAHRH1
SCHEMBL31177132 0.73 MAPT (0.41) ANPEPHTR2ALMNATP53GAA
SCHEMBL22121514 0.73 MAPT (0.41) ANPEPHTR2ALMNATP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168114-A1 Oxone-Aceton Mediated Metal Free Preparation of Syn-Diols COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-16 US claimed
WO-2014207766-A1 OXONE-ACETONE MEDIATED METAL FREE PREPARATION OF SYN-DIOLS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-31 WO claimed
US-10774060-B2 Oxone-aceton mediated metal free preparation of syn-diols COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-09-15 US disclosed
US-20160168114-A1 Oxone-Aceton Mediated Metal Free Preparation of Syn-Diols COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-16 US disclosed
US-20160168114-A1 Oxone-Aceton Mediated Metal Free Preparation of Syn-Diols COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-16 US disclosed
US-20160168114-A1 Oxone-Aceton Mediated Metal Free Preparation of Syn-Diols COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-16 US disclosed
CN-102482236-B Indenone derivative and pharmaceutical composition comprising same KOREA RES INST CHEM TECH 2015-01-28 CN disclosed
WO-2014207766-A1 OXONE-ACETONE MEDIATED METAL FREE PREPARATION OF SYN-DIOLS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-31 WO disclosed
WO-2014207766-A1 OXONE-ACETONE MEDIATED METAL FREE PREPARATION OF SYN-DIOLS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-31 WO disclosed
WO-2008106202-A1 THERAMUTEIN MODULATORS HOUSEY GERARD M (US) 2008-09-04 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 (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-20160168114-A1 Oxone-Aceton Mediated Metal Free Preparation of Syn-Diols SQLE, OXER1, OXA1L ANPEP 4434/4885HTR2A 4771/4885LMNA 3243/4885
US-10774060-B2 Oxone-aceton mediated metal free preparation of syn-diols SQLE, OXER1, OXA1L ANPEP 4434/4885HTR2A 4771/4885LMNA 3243/4885

“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.