SCHEMBL5065563

SCHEMBL5065563

COC(=O)CC(C)c1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ACHE P22303 1/20 0.41
NPC1 O15118 2/20 0.41
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
HTT P42858 1/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL5065557 1.00 RAB9A (0.44) RAB9AMAPTCYP4F2CYP4A11ACHE
SCHEMBL5065619 1.00 RAB9A (0.44) RAB9AMAPTCYP4F2CYP4A11ACHE
SCHEMBL5067689 0.83 CYP4F2 (0.45) RAB9AMAPTCYP4F2CYP4A11ACHE
SCHEMBL5067688 0.83 CYP4F2 (0.45) RAB9AMAPTCYP4F2CYP4A11ACHE
SCHEMBL5067694 0.83 CYP4F2 (0.45) RAB9AMAPTCYP4F2CYP4A11ACHE
SCHEMBL17875268 0.82 ACHE (0.61) RAB9AMAPTACHEL3MBTL1ALDH1A1
SCHEMBL2881396 0.82 ESR1 (0.48) RAB9AMAPTACHEALDH1A1HTT
SCHEMBL14567176 0.82 ESR1 (0.48) RAB9AMAPTACHEALDH1A1HTT
SCHEMBL13140497 0.82 ESR1 (0.48) RAB9AMAPTACHEALDH1A1HTT
SCHEMBL17754960 0.82 RAB9A (0.51) RAB9AMAPTNPC1L3MBTL1ALDH1A1

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 RAB9A 1811/4885MAPT 2408/4885CYP4F2 2594/4885

“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.