SCHEMBL3341600

SCHEMBL3341600

BrCCC(OC(CCBr)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.34
KIF11 P52732 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 4/20 0.33
ALDH1A1 P00352 4/20 0.33
KCNN4 O15554 2/20 0.33
TRPA1 O75762 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4082792 0.83 TDP1 (0.33) TDP1MAPK1KIF11LMNATSHR
SCHEMBL5928060 0.77 TSHR (0.39) MAPK1KIF11LMNATSHRALDH1A1
SCHEMBL5614716 0.77 KCNN4 (0.40) MAPK1KIF11LMNATSHRALDH1A1
SCHEMBL10830860 0.75 TDP1 (0.42) TDP1MAPK1KIF11TSHRALDH1A1
SCHEMBL28287845 0.73 KIF11 (0.54) TDP1KIF11TSHRALDH1A1KCNN4
SCHEMBL8048324 0.73 MAPK1 (0.39) MAPK1KIF11LMNATSHRALDH1A1
SCHEMBL7764290 0.71 KCNN4 (0.43) MAPK1KIF11LMNATSHRALDH1A1
Phosphine SCHEMBL28245164 0.71 KIF11 (0.52) TDP1KIF11TSHRALDH1A1KCNN4
SCHEMBL6529293 0.71 CYP2C19 (0.43) LMNAALDH1A1TAAR1ALOX15CYP1A2
SCHEMBL7785965 0.71 SIGMAR1 (0.40) MAPK1SIGMAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174264-A1 Oligomer-Antihistamine Conjugates NEKTAR THERAPEUTICS (US) 2015-06-25 US disclosed
EP-2121031-B1 OLIGOMER-ANTIHISTAMINE CONJUGATES NEKTAR THERAPEUTICS (US) 2013-10-16 EP disclosed
US-20130053400-A1 OLIGOMER-ANTIHISTAMINE CONJUGATES NEKTAR THERAPEUTICS (US) 2013-02-28 US disclosed
CN-101631569-B Oligomer-antihistamine conjugates NEKTAR THERAPEUTICS AL CORP US 2012-11-14 CN disclosed
EP-2500039-A1 Oligomer-antihistamine conjugates Nektar Therapeutics (US) 2012-09-19 EP disclosed
US-20100152201-A1 Oligomer-Antihistamine Conjugates NEKTAR THERAPEUTICS (US) 2010-06-17 US disclosed
CN-101631569-A Oligomer-antihistamine conjugates NEKTAR THERAPEUTICS AL CORP 2010-01-20 CN disclosed
EP-2121031-A1 OLIGOMER-ANTIHISTAMINE CONJUGATES Nektar Therapeutics (US) 2009-11-25 EP disclosed
WO-2008112257-A1 OLIGOMER-ANTIHISTAMINE CONJUGATES NEKTAR THERAPEUTICS (US) 2008-09-18 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 (3 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-20150174264-A1 Oligomer-Antihistamine Conjugates HRH4, HRH1, HRH3 TDP1 3468/4885MAPK1 4154/4885KIF11 702/4885
US-20100152201-A1 Oligomer-Antihistamine Conjugates HRH4, HRH1, HRH3 TDP1 3109/4885MAPK1 4271/4885KIF11 837/4885
US-20130053400-A1 OLIGOMER-ANTIHISTAMINE CONJUGATES HRH4, HRH1, HRH3 TDP1 3109/4885MAPK1 4271/4885KIF11 837/4885

“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.