SCHEMBL3255773

SCHEMBL3255773

CC1(CC(=O)O)OCC2(CO1)OCCO2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3250389 0.92 MAPK1 (0.38) TSHRL3MBTL1MAPK1LMNAHTT
SCHEMBL4097495 0.85 TSHR (0.39) TSHRL3MBTL1MAPK1HTTALDH1A1
SCHEMBL10207850 0.79 MGAM (0.34) TSHRMAPK1LMNAALDH1A1KMT2A
SCHEMBL3256641 0.77 KMT2A (0.32) TSHRL3MBTL1ALDH1A1KMT2A
SCHEMBL714250 0.74 EPHX1 (0.37)
SCHEMBL10207853 0.73 MAPK1 (0.36) TSHRMAPK1ALDH1A1CYP3A4KMT2A
SCHEMBL17048959 0.72 TSHR (0.37) TSHRL3MBTL1MAPK1LMNAHTT
SCHEMBL13358783 0.72
SCHEMBL712577 0.71 EPHX1 (0.30)
SCHEMBL6329063 0.69 LMNA (0.33) MAPK1LMNAALDH1A1CYP3A4CYP2D6

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-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP 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-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 TSHR 791/4885L3MBTL1 299/4885MAPK1 335/4885

“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.