SCHEMBL2903638

SCHEMBL2903638

C=C(C#N)C(=O)OCCCCC.C=C(C#N)C(=O)OCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
ALDH1A1 P00352 2/20 0.61
NAAA Q02083 1/20 0.48
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX1 P07099 1/20 0.46
HCAR2 Q8TDS4 1/20 0.42
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 6/20 0.41
DGKA P23743 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL8380049 1.00 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL379519 1.00 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL15229291 1.00 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL719001 1.00 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
Ocrylate SCHEMBL29891 1.00 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL29340 1.00 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL35540 1.00 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL973728 1.00 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL3457991 1.00 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1
SCHEMBL7744948 1.00 TSHR (0.62) TSHRALDH1A1NAAARAD52NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130089505-A1 SINGLE VIAL FORMULATION FOR MEDICAL GRADE CYANOACRYLATE VALOR MEDICAL, INC. (US) 2013-04-11 US disclosed
EP-2219553-A1 SINGLE VIAL FORMULATION FOR MEDICAL GRADE CYANOACRYLATE Valor Medical, Inc. (US) 2010-08-25 EP disclosed
US-20090257976-A1 SINGLE VIAL FORMULATION FOR MEDICAL GRADE CYANOACRYLATE VALOR MEDICAL, INC. (US) 2009-10-15 US disclosed
WO-2009064698-A1 SINGLE VIAL FORMULATION FOR MEDICAL GRADE CYANOACRYLATE VALOR MEDICAL, INC. (US) 2009-05-22 WO 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-20130089505-A1 SINGLE VIAL FORMULATION FOR MEDICAL GRADE CYANOACRYLATE MMAB, CBL, ECPAS TSHR 4870/4885ALDH1A1 1713/4885NAAA 1050/4885
US-20090257976-A1 SINGLE VIAL FORMULATION FOR MEDICAL GRADE CYANOACRYLATE MMAB, CBL, ECPAS TSHR 4870/4885ALDH1A1 1713/4885NAAA 1050/4885

“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.