SCHEMBL7103950

SCHEMBL7103950

CC1(C)C2CC[C@@]1(C)C(=O)OC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1I2 O75469 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 3/20 0.36
CYP3A4 P08684 3/20 0.36
MAPK1 P28482 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL7099395 1.00 LMNA (0.39) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL13946305 1.00 LMNA (0.39) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL13809215 1.00 LMNA (0.39) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL426068 1.00 LMNA (0.39) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL17893334 1.00 LMNA (0.39) LMNAALDH1A1MEN1MAPTKMT2A
Methylamine SCHEMBL27490883 0.96 LMNA (0.37) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL31663452 0.80 LMNA (0.34) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL29379882 0.77 ALDH1A1 (0.34) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL11257689 0.76 LMNA (0.40) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL1262532 0.70 NR1I2 (0.47) LMNAALDH1A1MEN1MAPTKMT2A

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
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

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 LMNA 2264/4885ALDH1A1 100/4885MEN1 1388/4885

“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.