SCHEMBL3485391

SCHEMBL3485391

O=C1CCCCC1C(O)c1ccc2ccccc2c1

nearest known ligand 0.92

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.92
CA1 P00915 2/20 0.47
CYP1A2 P05177 1/20 0.43
RECQL P46063 1/20 0.43
SLC6A3 Q01959 3/20 0.43
UGT2B7 P16662 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
HTR1E P28566 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR3 Q99500 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL13254544 1.00 MAPT (0.92) MAPTCA1CYP1A2RECQLSLC6A3
SCHEMBL14292322 1.00 MAPT (0.92) MAPTCA1CYP1A2RECQLSLC6A3
SCHEMBL30031079 1.00 MAPT (0.92) MAPTCA1CYP1A2RECQLSLC6A3
SCHEMBL28413868 0.96 MAPT (1.00) MAPTCA1CYP1A2RECQLSLC6A3
SCHEMBL7055028 0.82 MAPT (0.61) MAPTCA1LMNAKDM4EHPGD
SCHEMBL14292320 0.82 MAPT (0.61) MAPTCA1LMNAKDM4EHPGD
SCHEMBL3487513 0.82 MAPT (0.61) MAPTCA1LMNAKDM4EHPGD
SCHEMBL7053572 0.82 MAPT (0.61) MAPTCA1LMNAKDM4EHPGD
SCHEMBL4754009 0.82 MAPT (0.61) MAPTCA1LMNAKDM4EHPGD
SCHEMBL4754008 0.82 MAPT (0.61) MAPTCA1LMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111235187-B Method for preparing beta-hydroxyketone by reacting enzyme-catalyzed cyclic ketone with aromatic aldehyde 岭南师范学院 2022-12-06 CN disclosed
CN-111235187-A Method for preparing β -hydroxyketone by reacting cyclic ketone with aromatic aldehyde under enzyme catalysis 岭南师范学院 2020-06-05 CN disclosed
US-8399684-B2 Sulfonamide-based organocatalysts and method for their use STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2013-03-19 US disclosed
US-20100184986-A1 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE The State of Oregon acting by and through the State Board of Higher Education on behalf of Orego 2010-07-22 US disclosed
WO-2009039181-A2 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE STATE OF OREGON ACTING BY & THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OR. STATE UNIV. (US) 2009-03-26 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 (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-20100184986-A1 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE ALDH7A1, SULT1A1, SULT2A1 MAPT 3451/4885CA1 1253/4885CYP1A2 214/4885

“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.