SCHEMBL20148924

SCHEMBL20148924

CC(C)CC(NCc1ccccc1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
POLB P06746 1/20 0.46
PSMB5 P28074 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
ANPEP P15144 1/20 0.42
CASR P41180 1/20 0.41
ADAM17 P78536 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPV3 Q8NET8 1/20 0.40

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
SCHEMBL20148931 0.82 SIGMAR1 (0.55) SIGMAR1POLBMAPTSMN1; SMN2MEN1
SCHEMBL11972180 0.81 TRPV3 (0.56) SIGMAR1POLBALDH1A1MAPTMEN1
SCHEMBL22574694 0.81 TRPV3 (0.56) SIGMAR1POLBALDH1A1MAPTMEN1
SCHEMBL1515577 0.81 SIGMAR1 (0.53) SIGMAR1POLBMAPTSMN1; SMN2MEN1
SCHEMBL11971879 0.81 SIGMAR1 (0.53) SIGMAR1POLBMAPTSMN1; SMN2MEN1
SCHEMBL11972186 0.81 TRPV3 (0.56) SIGMAR1POLBALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL11133532 0.81 SIGMAR1 (0.53) SIGMAR1POLBALDH1A1MAPTSMN1; SMN2
SCHEMBL13995225 0.80 SIGMAR1 (0.74) SIGMAR1POLBALDH1A1CYP3A4
SCHEMBL13995594 0.80 SIGMAR1 (0.74) SIGMAR1POLBALDH1A1CYP3A4
SCHEMBL13995584 0.80 SIGMAR1 (0.74) SIGMAR1POLBALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10905711-B2 Methods and compositions for selectively removing potassium ion from the gastrointestinal tract of a mammal VIFOR (INTERNATIONAL) LTD. (CH) 2021-02-02 US disclosed
US-20180133244-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY REMOVING POTASSIUM ION FROM THE GASTROINTESTINAL TRACT OF A MAMMAL VIFOR (INTERNATIONAL) LTD. (CH) 2018-05-17 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 (2 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-10905711-B2 Methods and compositions for selectively removing potassium ion from the gastrointestinal tract of a mammal KCNN3, KCNH3, KCNH2 SIGMAR1 3498/4885POLB 3987/4885PSMB5 1046/4885
US-20180133244-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY REMOVING POTASSIUM ION FROM THE GASTROINTESTINAL TRACT OF A MAMMAL KCNN3, KCNH3, KCNH2 SIGMAR1 3498/4885POLB 3987/4885PSMB5 1046/4885

“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.