SCHEMBL675741

SCHEMBL675741

C[C](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.58
CES2 O00748 1/20 0.58
AKR1B1 P15121 1/20 0.58
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
CTBP2 P56545 1/20 0.52
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX2 P34913 1/20 0.47
PAM P19021 2/20 0.45
ABCC4 O15439 1/20 0.45

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
SCHEMBL3171335 0.82 CES1 (0.54) CES1CES2AKR1B1FNTAFNTB
SCHEMBL1515223 0.80 CTBP2 (0.56) CTBP2ALDH1A1KMT2ACYP3A4CYP2C9
Benzene SCHEMBL3421936 0.80 CES1 (0.64) CES1CES2AKR1B1FNTAFNTB
SCHEMBL1331954 0.80 CES1 (0.64) CES1CES2AKR1B1FNTAFNTB
Benzene SCHEMBL11066939 0.80 CES1 (0.64) CES1CES2AKR1B1FNTAFNTB
SCHEMBL9688483 0.80 CES1 (0.64) CES1CES2AKR1B1FNTAFNTB
Benzene SCHEMBL7058395 0.80 CES1 (0.64) CES1CES2AKR1B1FNTAFNTB
Benzene SCHEMBL2333780 0.80 CES1 (0.64) CES1CES2AKR1B1FNTAFNTB
Benzene SCHEMBL10503945 0.80 CES1 (0.64) CES1CES2AKR1B1FNTAFNTB
Benzene SCHEMBL6698503 0.80 CES1 (0.64) CES1CES2AKR1B1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition EMORY UNIVERSITY (US) 2011-11-10 US disclosed
EP-2328578-A2 NOSCAPINE AND NOSCAPINE ANALOGS AND THEIR USE IN TREATING INFECTIOUS DISEASES BY TUBULIN BINDING INHIBITION Emory University (US) 2011-06-08 EP disclosed
WO-2010030582-A2 NOSCAPINE AND NOSCAPINE ANALOGS AND THEIR USE IN TREATING INFECTIOUS DISEASES BY TUBULIN BINDING INHIBITION EMORY UNIVERSITY (US) 2010-03-18 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-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition NOS1, NOS2, TBCA CES1 1928/4885CES2 1993/4885AKR1B1 2676/4885

“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.