SCHEMBL20801668

SCHEMBL20801668

COCCOCCOCCOC(=O)CN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
CA2 P00918 1/20 0.37
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2B P18089 1/20 0.36
OPRD1 P41143 1/20 0.36
SCN5A Q14524 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR2C P28335 1/20 0.34
AOC2 O75106 1/20 0.33
DGKA P23743 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
THRB P10828 1/20 0.31
CYP1A1 P04798 3/20 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
SCHEMBL26756098 1.00 TSHR (0.38) TSHRCA2ABCB11CYP3A4ADRA2B
SCHEMBL2593332 1.00 TSHR (0.38) TSHRCA2ABCB11CYP3A4ADRA2B
SCHEMBL13713461 1.00 TSHR (0.38) TSHRCA2ABCB11CYP3A4ADRA2B
Hydrochloric Acid SCHEMBL28078980 0.98 TSHR (0.37) TSHRCA2ABCB11CYP3A4ADRA2B
SCHEMBL2883395 0.93
Hydrochloric Acid SCHEMBL28885388 0.91 TSHR (0.41) TSHRCA2ALDH1A1HTR2CDGKA
SCHEMBL22689123 0.89 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12275693 0.89 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5356898 0.83 HTR2C (0.56) TSHRCA2ABCB11CYP3A4ADRA2B
SCHEMBL23049673 0.83 ALDH1A1 (0.56) TSHRALDH1A1TP53HIF1AHSD17B10

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
WO-2023216533-A1 INDOLE ALKALOID, AND PREPARATION METHOD THEREFOR AND USE THEREOF 南京中医药大学 2023-11-16 WO disclosed
US-10385013-B2 Micro/nano materials, products obtained by covalently modifying surface of micro/nano materials with hydrophilic materials, and method for making same CHONGQING BOLANYING (BLY) BIOTECHNOLOGY CO., LTD. (CN) 2019-08-20 US disclosed
US-20190077746-A1 MICRO/NANO MATERIALS, PRODUCTS OBTAINED BY COVALENTLY MODIFYING SURFACE OF MICRO/NANO MATERIALS WITH HYDROPHILIC MATERIALS, AND METHOD FOR MAKING SAME CHONGQING BOLANYING (BLY) BIOTECHNOLOGY CO., LTD. (CN) 2019-03-14 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-20190077746-A1 MICRO/NANO MATERIALS, PRODUCTS OBTAINED BY COVALENTLY MODIFYING SURFACE OF MICRO/NANO MATERIALS WITH HYDROPHILIC MATERIALS, AND METHOD FOR MAKING SAME PHOSPHO1, PTMS, PAM TSHR 2276/4885CA2 2925/4885ABCB11 4848/4885
US-10385013-B2 Micro/nano materials, products obtained by covalently modifying surface of micro/nano materials with hydrophilic materials, and method for making same PHOSPHO1, PTMS, PAM TSHR 2276/4885CA2 2925/4885ABCB11 4848/4885

“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.