SCHEMBL9110969

SCHEMBL9110969

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nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
SOAT1 P35610 1/20 0.42
TSHR P16473 7/20 0.41
MAPT P10636 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
ALDH1A1 P00352 7/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34
SNCA P37840 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APP P05067 1/20 0.33
GAA P10253 1/20 0.32
RHOA P61586 1/20 0.32
TP53 P04637 3/20 0.31
HIF1A Q16665 2/20 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
SCHEMBL47912 0.97 CYP3A4 (0.45) CYP3A4SOAT1TSHRMAPTCACNA1B
Ethylene Glycol SCHEMBL1923456 0.90 CYP3A4 (0.41) CYP3A4SOAT1TSHRMAPTCACNA1B
Vinyl Ether SCHEMBL9746679 0.88 CYP3A4 (0.39) CYP3A4SOAT1TSHRMAPTCACNA1B
SCHEMBL5492445 0.87 MAPT (0.38) CYP3A4SOAT1TSHRMAPTCACNA1B
SCHEMBL7094613 0.86 MAPT (0.44) CYP3A4SOAT1TSHRMAPTCACNA1B
SCHEMBL7096132 0.86 SOAT1 (0.65) CYP3A4SOAT1TSHRMAPTCACNA1B
1,3-Propanediol SCHEMBL28898064 0.86 TSHR (0.40) CYP3A4SOAT1TSHRMAPTCACNA1B
1,4-Butanediol SCHEMBL28454894 0.86 TSHR (0.40) CYP3A4SOAT1TSHRMAPTCACNA1B
SCHEMBL9928 0.86 CYP3A4 (0.48) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL28799412 0.85 MAPT (0.41) CYP3A4SOAT1TSHRMAPTCACNA1B

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-10174132-B2 Heparan sulfate synthesis UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2019-01-08 US disclosed
US-20160060365-A1 HEPARAN SULFATE SYNTHESIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2016-03-03 US disclosed
US-20120142560-A1 HEPARAN SULFATE SYNTHESIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-06-07 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-10174132-B2 Heparan sulfate synthesis HPSE, STT3B, DDOST CYP3A4 3304/4885SOAT1 3678/4885TSHR 3144/4885
US-20160060365-A1 HEPARAN SULFATE SYNTHESIS HPSE, STT3B, DDOST CYP3A4 3304/4885SOAT1 3678/4885TSHR 3144/4885

“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.