SCHEMBL2400792

SCHEMBL2400792

Cc1ccc(Oc2ccc(C)cc2Br)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.58
L3MBTL1 Q9Y468 6/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 3/20 0.58
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 2/20 0.50
MAPT P10636 5/20 0.49
HPGD P15428 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ACHE P22303 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL30811086 1.00 TDP1 (0.58) TDP1L3MBTL1ALDH1A1MAPK1CYP1A2
SCHEMBL8298117 0.87 CYP1A2 (0.46) TDP1L3MBTL1ALDH1A1MAPK1CYP1A2
SCHEMBL11224192 0.83 TDP1 (0.49) TDP1L3MBTL1ALDH1A1MAPK1CYP1A2
SCHEMBL20384414 0.83 EPAS1 (0.55) TDP1L3MBTL1ALDH1A1MAPK1CYP1A2
SCHEMBL29447058 0.83 ACHE (0.62) TDP1L3MBTL1ALDH1A1MAPK1CYP1A2
SCHEMBL332885 0.83 ACHE (0.62) TDP1L3MBTL1ALDH1A1MAPK1CYP1A2
SCHEMBL17448356 0.82 CA2 (0.46) TDP1L3MBTL1ALDH1A1MAPK1CYP1A2
SCHEMBL8298052 0.80 SLC6A4 (0.48) TDP1L3MBTL1ALDH1A1MAPK1CYP1A2
SCHEMBL21652782 0.79 CYP1A2 (0.41) TDP1L3MBTL1ALDH1A1MAPK1CYP1A2
SCHEMBL16834317 0.78 L3MBTL1 (0.75) TDP1L3MBTL1ALDH1A1MAPK1CYP1A2

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-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
CN-101133011-A Process for the manufacture of substituted propionic acids PHOENIX CHEMICALS LTD (GB) 2008-02-27 CN 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 TDP1 4837/4885L3MBTL1 3426/4885ALDH1A1 4802/4885

“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.