SCHEMBL2398262

SCHEMBL2398262

CC(OCc1ccccc1)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 2/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
IDO1 P14902 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
AGXT P21549 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
Ethylene SCHEMBL27839738 0.96 LMNA (0.41) TSHRLMNAL3MBTL1MAOBPPARG
SCHEMBL9395636 0.88 CHRNB2 (0.50) PPARGPPARAIDO1POLBMEN1
SCHEMBL10170753 0.88 IDO1 (0.44) LMNAL3MBTL1MAOBIDO1MAPT
SCHEMBL1571975 0.85 TSHR (0.52) TSHRLMNAL3MBTL1IDO1SLC1A3
SCHEMBL16389703 0.85 AOC3 (0.45) LMNAL3MBTL1PPARGPPARAMAPT
SCHEMBL13154071 0.84 LMNA (0.39) TSHRLMNAL3MBTL1PPARGPPARA
SCHEMBL2973189 0.84 LCK (0.39) TSHRLMNAL3MBTL1PPARGPPARA
SCHEMBL25685937 0.84 BCHE (0.48) PPARGPPARA
SCHEMBL14048377 0.84 SLC7A5 (0.49) TSHRLMNAL3MBTL1AOC3
SCHEMBL110486 0.84 SLC7A5 (0.49) TSHRLMNAL3MBTL1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP claimed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US claimed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP claimed
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US disclosed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 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-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 TSHR 977/4885LMNA 3312/4885L3MBTL1 3426/4885

“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.