SCHEMBL21331667

SCHEMBL21331667

C=CC(=O)OCCC(C)C#N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.52
HPGD P15428 1/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
CHRNB2 P17787 2/20 0.30
CHRNA4 P43681 2/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 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
SCHEMBL809780 0.81 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9103359 0.79 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL34661 0.79 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29550542 0.79 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11492766 0.78 CHRNB2 (0.34) TSHRALOX15CHRNB2CHRNA4CHRNB4
SCHEMBL3453557 0.78 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11435730 0.77 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL510108 0.77 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL142522 0.77 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8660776 0.77 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A

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-11396567-B2 Fine fluorescent particle containing AIE-active compound NATIONAL UNIVERSITY CORPORATION SAITAMA UNIVERSITY (JP) 2022-07-26 US disclosed
US-20190276735-A1 FINE FLUORESCENT PARTICLE CONTAINING AIE-ACTIVE COMPOUND NATIONAL UNIVERSITY CORPORATION SAITAMA UNIVERSITY (JP) 2019-09-12 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-11396567-B2 Fine fluorescent particle containing AIE-active compound AGO2, RAE1, SNRPE TSHR 1819/4885HPGD 4590/4885ALDH1A1 1210/4885

“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.