SCHEMBL5070331

SCHEMBL5070331

C=CCC(C(=O)OCc1ccccc1)c1ccc(C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.50
ALDH1A1 P00352 7/20 0.50
TSHR P16473 6/20 0.49
MAPT P10636 3/20 0.49
OPRD1 P41143 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
RAB9A P51151 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
SCHEMBL2658573 0.81 ESR1 (0.50) CYP3A4ALDH1A1TSHRMAPTMAPK1
SCHEMBL20795863 0.79 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRMAPTMAPK1
SCHEMBL6848701 0.79 LTA4H (0.52) ALDH1A1CYP2C19RAB9A
SCHEMBL2657921 0.78 MEN1 (0.55) MAPTKMT2ARAB9A
SCHEMBL11664654 0.78 CYP2C19 (0.46) ALDH1A1CYP2C19MAPK1SLC6A2SLC6A3
SCHEMBL8630865 0.77 KMT2A (0.58) CYP3A4ALDH1A1MAPTOPRD1CYP2C19
SCHEMBL9114061 0.77 CYP2C19 (0.67) ALDH1A1TSHROPRD1CYP2C19LMNA
SCHEMBL2657472 0.77 GCGR (0.49) CYP3A4ALDH1A1TSHRMAPTLMNA
SCHEMBL22388846 0.77 KMT2A (0.76) ALDH1A1TSHRMAPTMAPK1LMNA
SCHEMBL2669771 0.74 MAPT (0.52) CYP3A4ALDH1A1TSHRMAPTMAPK1

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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 US disclosed
EP-1737826-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2007-01-03 EP disclosed
WO-2005075438-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2005-08-18 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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 CYP3A4 1176/4885ALDH1A1 431/4885TSHR 4109/4885

“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.