SCHEMBL7104141

SCHEMBL7104141

CC(C)COC(=O)C1CC[C@@](C)(C(=O)O)C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.35
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL25640881 0.83 ALDH1A1 (0.54) ALDH1A1POLBLMNANPSR1L3MBTL1
SCHEMBL25640863 0.80 ALDH1A1 (0.51) ALDH1A1POLBLMNANPSR1L3MBTL1
SCHEMBL25640874 0.80 ALDH1A1 (0.51) ALDH1A1POLBLMNANPSR1L3MBTL1
SCHEMBL26160567 0.80 ALDH1A1 (0.51) ALDH1A1POLBLMNANPSR1L3MBTL1
SCHEMBL26160554 0.79 ALDH1A1 (0.50) ALDH1A1POLBLMNANPSR1L3MBTL1
SCHEMBL26160565 0.79 ALDH1A1 (0.50) ALDH1A1POLBLMNANPSR1L3MBTL1
SCHEMBL25640875 0.78 ALDH1A1 (0.49) ALDH1A1POLBLMNANPSR1L3MBTL1
SCHEMBL25640865 0.78 ALDH1A1 (0.49) ALDH1A1POLBLMNANPSR1L3MBTL1
SCHEMBL7227981 0.77 CYP1A2 (0.60) ALDH1A1POLBLMNANPSR1L3MBTL1
SCHEMBL1335665 0.77 ALDH1A1 (0.54) ALDH1A1POLBLMNANPSR1L3MBTL1

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
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP disclosed
US-6596752-B1 Small molecules that are potent inhibitors of alpha 4 beta 1 mediated adhesion to either VCAM or CS-1 and which could be useful for the treatment of inflammatory diseases. TANABE SEIYAKU CO., LTD. (JP) 2003-07-22 US disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 US disclosed
US-6482849-B1 Inhibitors of α4β1 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2002-11-19 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 (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-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion VCAM1, ICAM1, ITGB1 ALDH1A1 100/4885POLB 3069/4885LMNA 2264/4885

“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.