SCHEMBL12296396

SCHEMBL12296396

COCCCSCCCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HRH4 Q9H3N8 2/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
HRH2 P25021 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.32
DNM1 Q05193 3/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CD O00329 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL12296684 0.91 HTR1A (0.34) ALDH1A1TSHRPIK3CDHTR1ADRD2
SCHEMBL10760994 0.83 ALDH1A1 (0.35) ALDH1A1TSHRKDM4E
SCHEMBL11348671 0.83 ALDH1A1 (0.53) ALDH1A1HRH4TSHRCYP1A2HRH2
SCHEMBL11938145 0.80 ALDH1A1 (0.50) ALDH1A1HRH4TSHRCYP1A2HRH2
SCHEMBL419073 0.80
SCHEMBL2510802 0.78
SCHEMBL12245087 0.77 ALDH1A1 (0.34) ALDH1A1HRH4TSHRCYP1A2HRH2
SCHEMBL5444539 0.75 ALDH1A1 (0.61) ALDH1A1TSHRDNM1KDM4ESMN1; SMN2
SCHEMBL5452780 0.75 ALDH1A1 (0.61) ALDH1A1TSHRDNM1KDM4ESMN1; SMN2
SCHEMBL4543525 0.75 ALDH1A1 (0.61) ALDH1A1TSHRDNM1KDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313147-A1 CHROMATOGRAPHIC MATERIAL FOR THE ABSORPTION OF PROTEINS AT PHYSIOLOGICAL IONIC STRENGTH PALL CORPORATION (US) 2011-12-22 US disclosed
US-8021889-B2 Chromatographic material for the absorption of proteins at physiological ionic strength PALL CORPORATION (US) 2011-09-20 US disclosed
US-20070151910-A1 Chromatographic material for the absorption of proteins at physiological ionic strength PALL CORPORATION (US) 2007-07-05 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-20110313147-A1 CHROMATOGRAPHIC MATERIAL FOR THE ABSORPTION OF PROTEINS AT PHYSIOLOGICAL IONIC STRENGTH SLC7A1, MAX, STAMBP ALDH1A1 4708/4885HRH4 950/4885TSHR 1992/4885

“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.