SCHEMBL16768602

SCHEMBL16768602

CC(C)C(OCCC#N)OCCC#N

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12703256 0.80 TSHR (0.37) TSHRALDH1A1TDP1
SCHEMBL641736 0.79
SCHEMBL29187298 0.79 TSHR (0.40) TSHRALDH1A1TDP1
SCHEMBL9153485 0.79 TSHR (0.40) TSHRALDH1A1TDP1
SCHEMBL25856673 0.77 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL20369085 0.75 TSHR (0.42) TSHRALDH1A1TDP1
SCHEMBL20364824 0.75 TSHR (0.37) TSHRALDH1A1TDP1
SCHEMBL9154922 0.75
SCHEMBL7014958 0.75
SCHEMBL18074929 0.75 TSHR (0.37) TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542224-B2 Synthesis of and compositions containing diaminoacetals and diaminoketals ADITYA BIRLA CHEMICALS (USA), INC. (US) 2023-01-03 US disclosed
US-20200317604-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS CONNORA TECHNOLOGIES, INC. 2020-10-08 US disclosed
US-20190284128-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS ADITYA BIRLA CHEMICALS (USA) LLC 2019-09-19 US disclosed
US-20170114002-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS CONNORA TECHNOLOGIES, INC. (US) 2017-04-27 US disclosed
US-20150152043-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS PASTINE STEFAN J (US) 2015-06-04 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 (5 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-20190284128-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS SRM, AOC1, SAT1 TSHR 4623/4885ALDH1A1 914/4885TDP1 1054/4885
US-20150152043-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS SRM, AOC1, SAT1 TSHR 4623/4885ALDH1A1 914/4885TDP1 1054/4885
US-20200317604-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS SRM, AOC1, SAT1 TSHR 4623/4885ALDH1A1 914/4885TDP1 1054/4885
US-11542224-B2 Synthesis of and compositions containing diaminoacetals and diaminoketals SRM, AOC1, SAT1 TSHR 4623/4885ALDH1A1 914/4885TDP1 1054/4885
US-20170114002-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS SRM, AOC1, SAT1 TSHR 4623/4885ALDH1A1 914/4885TDP1 1054/4885

“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.