SCHEMBL3584535

SCHEMBL3584535

Cc1cc(C)cc(C(C(=O)O)c2cc(C)cc(C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.48
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
PTGS2 P35354 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HCAR1 Q9BXC0 1/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ERN1 O75460 1/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33
ACP3 P15309 1/20 0.33

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
SCHEMBL6481443 0.80 SRC (0.48) TPMTSLC1A3SLC1A2SLC1A1PTGS2
SCHEMBL6397570 0.78 LMNA (0.50) TPMTSLC1A3SLC1A2SLC1A1PTGS2
SCHEMBL1573370 0.78 LMNA (0.50) TPMTSLC1A3SLC1A2SLC1A1PTGS2
SCHEMBL8960142 0.78 PTGS2 (0.54) TPMTPTGS2ALDH1A1AKR1C3AKR1C2
SCHEMBL5846200 0.78 PTGS2 (0.54) TPMTPTGS2ALDH1A1AKR1C3AKR1C2
SCHEMBL1573368 0.78 LMNA (0.50) TPMTSLC1A3SLC1A2SLC1A1PTGS2
SCHEMBL4619753 0.78 ACP3 (0.53) PTGS2AKR1C3AKR1C2NPSR1SMN1; SMN2
SCHEMBL28121916 0.76 TPMT (0.44) TPMTSLC1A3SLC1A2SLC1A1PTGS2
Hydrochloric Acid SCHEMBL5846495 0.76 PTGS2 (0.53) TPMTPTGS2ALDH1A1AKR1C3AKR1C2
SCHEMBL27819703 0.76 TPMT (0.44) TPMTSLC1A3SLC1A2SLC1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
EP-1706205-B1 A CATALYTICAL ASYMMETRIC EPOXIDATION UNIV CHICAGO (US) 2008-10-29 EP disclosed
EP-1706205-B1 A CATALYTICAL ASYMMETRIC EPOXIDATION UNIV CHICAGO (US) 2008-10-29 EP disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
EP-1706205-A1 A CATALYTIC ASYMMETRIC EPOXIDATION University of Chicago (US) 2006-10-04 EP disclosed
WO-2005072868-A1 A CATALYTIC ASYMMETRIC EPOXIDATION UNIVERSITY OF CHICAGO (US) 2005-08-11 WO disclosed
US-20050159607-A1 Catalytic asymmetric epoxidation JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-07-21 US 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-20070203347-A1 Catalytic asymmetric epoxidation DUOX1, DUOX2, EPHX2 TPMT 1174/4885SLC1A3 3131/4885SLC1A2 2612/4885
US-20050159607-A1 Catalytic asymmetric epoxidation DUOX1, DUOX2, EPHX2 TPMT 1174/4885SLC1A3 3131/4885SLC1A2 2612/4885

“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.