SCHEMBL17035303

SCHEMBL17035303

C=CC(=O)NCCOCCOCCOCCNC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PYGL P06737 1/20 0.33
TGM2 P21980 4/20 0.33
THRB P10828 1/20 0.32
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
CYP3A4 P08684 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
SCHEMBL18721196 0.87 ZDHHC20 (0.42) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL4361183 0.86 TSHR (0.52) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL5066367 0.86 MEN1 (0.50) MEN1KMT2AALDH1A1TP53HSD17B10
SCHEMBL12328966 0.86 TSHR (0.52) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL12213321 0.86 TSHR (0.52) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL12328384 0.86 TSHR (0.52) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL26307248 0.84 TSHR (0.59) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL22821424 0.84 MEN1 (0.47) MEN1KMT2AALDH1A1TP53HSD17B10
SCHEMBL10064051 0.84 TSHR (0.54) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL18691855 0.83 ZDHHC20 (0.42) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1

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-10626139-B2 Cationic steroidal antimicrobial compounds BRIGHAM YOUNG UNIVERSITY (US) 2020-04-21 US disclosed
US-20150239928-A1 CATIONIC STEROIDAL ANTIMICROBIAL COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2015-08-27 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-10626139-B2 Cationic steroidal antimicrobial compounds CCL11, SERPINA6, CXCL10 ZDHHC20 1181/4885ZDHHC2 2477/4885MEN1 2089/4885
US-20150239928-A1 CATIONIC STEROIDAL ANTIMICROBIAL COMPOUNDS CCL11, SERPINA6, CXCL10 ZDHHC20 1181/4885ZDHHC2 2477/4885MEN1 2089/4885

“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.