SCHEMBL21735828

SCHEMBL21735828

C=C(C)C(=O)C(C)(C)C(C)(C)C(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 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
SCHEMBL17449768 0.89 ALDH1A1 (0.36) TDP1ALDH1A1TSHR
SCHEMBL23893443 0.81 TDP1 (0.33) TDP1
SCHEMBL22590845 0.81 TDP1 (0.33) TDP1
SCHEMBL2617047 0.80
SCHEMBL12962523 0.75
SCHEMBL20892753 0.75
SCHEMBL21342514 0.71 ALDH1A1 (0.42) TDP1ALDH1A1HSD17B10
SCHEMBL15822275 0.71 TDP1 (0.35) TDP1ALDH1A1TSHR
SCHEMBL17943361 0.71 TDP1 (0.35) TDP1ALDH1A1
SCHEMBL22686143 0.71 TDP1 (0.35) TDP1ALDH1A1

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-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
US-11001576-B2 Compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
US-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-27 US disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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 (4 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-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 TDP1 3811/4885ALDH1A1 1851/4885HSD17B10 647/4885
US-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D TDP1 2618/4885ALDH1A1 388/4885HSD17B10 2083/4885
US-11001576-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D TDP1 2618/4885ALDH1A1 388/4885HSD17B10 2083/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 TDP1 3811/4885ALDH1A1 1851/4885HSD17B10 647/4885

“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.