SCHEMBL2415896

SCHEMBL2415896

C=CCCC(S)C(=O)OCC=C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 4/20 0.37
MAPT P10636 4/20 0.35
TSHR P16473 3/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ALDH1A1 P00352 2/20 0.33
USP2 O75604 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CASP1 P29466 2/20 0.31
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL29222920 0.82 TSHR (0.46) TDP1CYP3A4MAPTTSHRCACNA1B
SCHEMBL7591076 0.81 TDP1 (0.41) TDP1CYP3A4MAPTTSHRCACNA1B
SCHEMBL8975753 0.79 TDP1 (0.43) TDP1CYP3A4MAPTTSHRCACNA1B
SCHEMBL8943666 0.76 TSHR (0.57) TDP1MAPTTSHRHPGDLMNA
SCHEMBL4672425 0.74
SCHEMBL14745750 0.72 CYP3A4 (0.45) TDP1CYP3A4MAPTTSHRCACNA1B
SCHEMBL11519762 0.71 TDP1 (0.44) TDP1CYP3A4MAPTTSHRCACNA1B
SCHEMBL7036156 0.70 CYP3A4 (0.43) TDP1CYP3A4MAPTTSHRCACNA1B
SCHEMBL167949 0.70 CYP3A4 (0.43) TDP1CYP3A4MAPTTSHRCACNA1B
SCHEMBL4195585 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142792-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2019-05-16 US claimed
US-20170035726-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2017-02-09 US claimed
US-20150011488-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2015-01-08 US claimed
US-20110218241-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2011-09-08 US claimed
US-20190142792-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2019-05-16 US disclosed
US-20170035726-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2017-02-09 US disclosed
US-20150011488-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2015-01-08 US disclosed
US-20110218241-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2011-09-08 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-20150011488-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CUTA, OGG1, HAAO TDP1 532/4885CYP3A4 4478/4885MAPT 1523/4885
US-20170035726-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CUTA, OGG1, HAAO TDP1 532/4885CYP3A4 4478/4885MAPT 1523/4885
US-20110218241-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CUTA, OGG1, MGMT TDP1 641/4885CYP3A4 4532/4885MAPT 1339/4885
US-20190142792-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CUTA, OGG1, HAAO TDP1 532/4885CYP3A4 4478/4885MAPT 1523/4885

“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.