SCHEMBL21292579

SCHEMBL21292579

C=C(C#N)C(=O)OC(CC)OC.C=C(C#N)C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
TSHR P16473 1/20 0.67
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PTP4A1 Q93096 1/20 0.30
MIF P14174 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
SCHEMBL440641 0.92 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL28362672 0.84 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL27647336 0.82 ALDH1A1 (1.00) ALDH1A1TSHRCYP2C9KDM4EMAPT
SCHEMBL29445 0.82
SCHEMBL4888140 0.81 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C9
SCHEMBL9403053 0.81 ALDH1A1 (0.76) ALDH1A1TSHRCYP2C9KDM4EMAPT
SCHEMBL2675454 0.80 ALDH1A1 (0.49) ALDH1A1TSHR
Acetonitrile SCHEMBL23070461 0.78 ALDH1A1 (0.92) ALDH1A1TSHRCYP2C9KDM4EMAPT
SCHEMBL4885635 0.78 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL20472549 0.77 TSHR (0.46) ALDH1A1TSHR

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-11292760-B2 Therapeutic acrylates as enhanced medical adhesives CARNEGIE MELLON UNIVERSITY (US) 2022-04-05 US disclosed
US-20190262497-A1 Therapeutic Acrylates as Enhanced Medical Adhesives CARNEGIE MELLON UNIVERSITY 2019-08-29 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-11292760-B2 Therapeutic acrylates as enhanced medical adhesives ILK, COL2A1, BMP2 ALDH1A1 1019/4885TSHR 4756/4885CYP2C9 4165/4885

“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.