SCHEMBL5042724

SCHEMBL5042724

CCOC(=O)C(OCC)c1c(F)cc(Oc2ccc(OC)c(OC)c2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL5043068 0.89 LDHA (0.40) HIF1ALMNASMN1; SMN2MAPK1TUBB4A
SCHEMBL5042882 0.88 PTGS2 (0.41) MAPK1ALDH1A1MEN1GAAMAPT
SCHEMBL5047314 0.85 MAPK1 (0.47) LMNAMAPK1ALDH1A1POLBKDM4E
SCHEMBL5042607 0.82 CYP3A4 (0.40) SMN1; SMN2MAPK1ALDH1A1MEN1GAA
SCHEMBL5043292 0.79 S1PR2 (0.41) LMNASMN1; SMN2MAPK1ALDH1A1POLB
SCHEMBL5042114 0.77 ELANE (0.38) POLB
SCHEMBL6451726 0.77 F10 (0.50) MAPK1
SCHEMBL6451758 0.77 F10 (0.50) MAPK1
SCHEMBL5041275 0.77 LDHA (0.40) CYP2C19HPGD
Hydrochloric Acid SCHEMBL5045557 0.76 F10 (0.51) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 HIF1A 251/4885LMNA 1694/4885SMN1; SMN2 3242/4885

“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.