SCHEMBL3486328

SCHEMBL3486328

O=C1CCCCC1C(O)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.51
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCL1 Q07820 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL13254537 1.00 CA1 (0.51) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL13254459 0.95 MAPT (0.54) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL13254458 0.95 MAPT (0.54) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3486103 0.95 MAPT (0.54) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL13254541 0.83 CA1 (0.59) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3486040 0.82 NPSR1 (0.47) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL7960098 0.79 MAPT (0.47) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL28652339 0.78 MAPT (0.46) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL5373025 0.78 CA1 (0.48) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL21158807 0.78 CA1 (0.57) CA1MAPTKDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107497485-B Water-phase asymmetric Aldol reaction catalyst and preparation method and application thereof 石家庄学院 2020-04-17 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 CA1 1253/4885MAPT 3451/4885KDM4E 3481/4885

“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.