SCHEMBL809758

SCHEMBL809758

COc1ccc2c(c1)CCC(=O)C2c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA9 Q16790 5/20 0.55
CA14 Q9ULX7 5/20 0.55
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SLC6A9 P48067 1/20 0.47
DRD1 P21728 2/20 0.47
CA7 P43166 2/20 0.46
CA12 O43570 1/20 0.46
MIF P14174 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
MAOB P27338 1/20 0.44
HTR2A P28223 1/20 0.44
SRD5A1 P18405 2/20 0.43

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
SCHEMBL14293862 0.91 CA1 (0.49) CA1CA2CA9CA14CA7
SCHEMBL14267920 0.87 CA1 (0.56) CA1CA2CA9CA14CA7
SCHEMBL9438607 0.84 GID4 (0.58) CA1CA2CA9CA14DRD1
SCHEMBL808897 0.82 GID4 (0.55) DRD1GID4
SCHEMBL29001208 0.82 ALDH1A1 (0.48) CA1CA2CA9CA14DRD1
SCHEMBL822036 0.78 MAPT (0.56)
SCHEMBL27861333 0.77 LMNA (0.36) CA1CA2CA9CA14
SCHEMBL6249142 0.77 HTR2C (0.51) CA1CA2CA9CA14DRD1
SCHEMBL3284717 0.77 HTR2A (0.50) CA1CA2CA9CA14DRD1
SCHEMBL1722733 0.76 GAA (0.51) HTR2A

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 12 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-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
WO-2014207766-A1 OXONE-ACETONE MEDIATED METAL FREE PREPARATION OF SYN-DIOLS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-31 WO disclosed
EP-1955992-B1 Process for the preparation of 1-aryl-3, 4-dihydro-1h-napthalene-2-one TOKUYAMA CORP (JP) 2011-11-23 EP disclosed
US-7728154-B2 Process for the preparation of 1-aryl-3,4-dihydro-1H-naphthalene-2-one TOKUYAMA CORPORATION (JP) 2010-06-01 US disclosed
US-20080200697-A1 Process for the preparation of 1-aryl-3,4-dihydro-1H-naphthalene-2-one TOKUYAMA CORPORATION (JP) 2008-08-21 US disclosed
EP-1955992-A2 Process for the preparation of 1-aryl-3, 4-dihydro-1h-napthalene-2-one TOKUYAMA CORPORATION (JP) 2008-08-13 EP 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-20080200697-A1 Process for the preparation of 1-aryl-3,4-dihydro-1H-naphthalene-2-one SULT1E1, CYP2S1, SULT1A1 CA1 1878/4885CA2 1289/4885CA9 2995/4885
US-20160168114-A1 Oxone-Aceton Mediated Metal Free Preparation of Syn-Diols SQLE, OXER1, OXA1L CA1 802/4885CA2 864/4885CA9 1278/4885
US-10774060-B2 Oxone-aceton mediated metal free preparation of syn-diols SQLE, OXER1, OXA1L CA1 802/4885CA2 864/4885CA9 1278/4885

“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.