SCHEMBL3256641

SCHEMBL3256641

CCC1(CC(=O)O)OCC2(CO1)OCCO2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3257641 0.86 TSHR (0.33) ALDH1A1TSHRL3MBTL1
SCHEMBL10207675 0.81 KMT2A (0.33) KMT2AALDH1A1TSHR
SCHEMBL3255773 0.77 TSHR (0.34) KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL712330 0.73
SCHEMBL743722 0.73 HSD11B1 (0.38) ALDH1A1TSHRL3MBTL1
SCHEMBL17530268 0.72 CYP1A2 (0.30)
SCHEMBL3254927 0.71 FFAR3 (0.32) KMT2ATSHRL3MBTL1
SCHEMBL3250389 0.70 MAPK1 (0.38) ALDH1A1TSHRL3MBTL1
SCHEMBL720430 0.68 KDM4E (0.33)
SCHEMBL714512 0.68 ALDH1A1 (0.32) KMT2AALDH1A1TSHRL3MBTL1

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 KMT2A 3821/4885ALDH1A1 1053/4885TSHR 791/4885

“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.