SCHEMBL6036042

SCHEMBL6036042

CCCCCCCCCCCCN(C)C.ClCCCCCCBr

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.60
TSHR P16473 4/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.39
THRB P10828 4/20 0.33
THRA P10827 3/20 0.33
DNM2 P50570 2/20 0.33

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
SCHEMBL7902921 1.00 DNM1 (0.60) DNM1TSHRALDH1A1TDP1THRB
SCHEMBL7184171 1.00 DNM1 (0.60) DNM1TSHRALDH1A1TDP1THRB
Dymanthine SCHEMBL7895663 0.94 DNM1 (0.62) DNM1TSHRALDH1A1TDP1THRB
SCHEMBL6549792 0.94 DNM1 (0.62) DNM1TSHRALDH1A1TDP1THRB
SCHEMBL6036516 0.94 DNM1 (0.62) DNM1TSHRALDH1A1TDP1THRB
SCHEMBL7903579 0.94 DNM1 (0.62) DNM1TSHRALDH1A1TDP1THRB
SCHEMBL8508979 0.94 DNM1 (0.62) DNM1TSHRALDH1A1TDP1THRB
SCHEMBL7904761 0.94 DNM1 (0.62) DNM1TSHRALDH1A1TDP1THRB
SCHEMBL29137867 0.89 DNM1 (0.75) DNM1TSHRALDH1A1TDP1THRB
SCHEMBL7903172 0.89 DNM1 (0.75) DNM1TSHRALDH1A1THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125547-B2 Poly(diallylamine)-based bile acid sequestrants GENZYME CORPORATION (US) 2006-10-24 US disclosed
US-20040151687-A1 Poly(diallylamine)-based bile acid sequestrants GENZYME CORPORATION 2004-08-05 US disclosed
US-6610283-B1 Method for removing bile acids from a patient and certain polymers of use in the method. The method comprises the step of administering to the patient a therapeutically effective amount of a polymer composition which includes a a GENZYME CORPORATION 2003-08-26 US disclosed
EP-1094801-A2 POLY(DIALLYLAMINE)-BASED BILE ACID SEQUESTRANTS GELTEX PHARMACEUTICALS, INC. (US) 2001-05-02 EP disclosed
WO-1999022743-A1 POLY(DIALLYLAMINE)-BASED PHOSPHATE BINDERS GELTEX PHARMACEUTICALS, INC. (US) 1999-05-14 WO disclosed
WO-1998029107-A2 POLY(DIALLYLAMINE)-BASED BILE ACID SEQUESTRANTS GELTEX PHARMACEUTICALS, INC. (US) 1998-07-09 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 (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-20040151687-A1 Poly(diallylamine)-based bile acid sequestrants NR1H4, SLC10A2, SLC10A1 DNM1 3469/4885TSHR 4388/4885ALDH1A1 2717/4885

“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.