SCHEMBL5547751

SCHEMBL5547751

CCCCCCCCCCC(CCCCl)C(C)(C)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
FDPS P14324 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRM1 P35372 1/20 0.37
SPHK1 Q9NYA1 2/20 0.35
LMNA P02545 2/20 0.34
CYP2D6 P10635 2/20 0.33
SMPD1 P17405 2/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 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
Bromide SCHEMBL6549989 0.98 TSHR (0.44) TSHRALDH1A1FDPSTDP1OPRM1
Bromide SCHEMBL5550558 0.98 TSHR (0.44) TSHRALDH1A1FDPSTDP1OPRM1
Bromide SCHEMBL8466601 0.98 TSHR (0.44) TSHRALDH1A1FDPSTDP1OPRM1
Bromide SCHEMBL5551153 0.98 TSHR (0.44) TSHRALDH1A1FDPSTDP1OPRM1
Bromide SCHEMBL5550949 0.98 TSHR (0.44) TSHRALDH1A1FDPSTDP1OPRM1
Bromide SCHEMBL8467090 0.98 TSHR (0.44) TSHRALDH1A1FDPSTDP1OPRM1
Bromide SCHEMBL8469209 0.94 TSHR (0.50) TSHRALDH1A1FDPSTDP1OPRM1
Bromide SCHEMBL5546691 0.94 TSHR (0.50) TSHRALDH1A1FDPSTDP1OPRM1
Bromide SCHEMBL5552303 0.94 TSHR (0.50) TSHRALDH1A1FDPSTDP1OPRM1
Bromide SCHEMBL6760465 0.94 TSHR (0.50) TSHRALDH1A1FDPSTDP1OPRM1

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
US-20070190021-A1 Poly(diallylamine)-based bile acid sequestrants HOLMES-FARLEY STEPHEN R 2007-08-16 US disclosed
US-7125547-B2 Poly(diallylamine)-based bile acid sequestrants GENZYME CORPORATION (US) 2006-10-24 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

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-20070190021-A1 Poly(diallylamine)-based bile acid sequestrants NR1H4, SLC10A2, SLC10A1 TSHR 4075/4885ALDH1A1 2873/4885FDPS 2092/4885

“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.