SCHEMBL735674

SCHEMBL735674

C=C(O)CP(=O)(OCC)OCC

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
PPARD Q03181 2/20 0.50
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NR1I2 O75469 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL11785937 0.85 TSHR (0.52) TSHRPPARDTP53TDP1CA12
SCHEMBL246310 0.83 TSHR (0.50) TSHRPPARDTP53TDP1MAPT
SCHEMBL28441688 0.82 TSHR (0.44) TSHRPPARDTP53TDP1POLB
SCHEMBL9605287 0.81 TSHR (0.48) TSHRPPARDTP53TDP1CA12
SCHEMBL282439 0.80 TSHR (0.52) TSHRPPARDTP53TDP1POLB
SCHEMBL8643733 0.79 TSHR (0.57) TSHRPPARDTP53TDP1MAPT
Hydrochloric Acid SCHEMBL15439306 0.78 TSHR (0.50) TSHRPPARDTP53TDP1POLB
SCHEMBL26927745 0.78 TSHR (0.50) TSHRPPARDTP53TDP1POLB
SCHEMBL2298239 0.78 TSHR (0.50) TSHRPPARDTP53TDP1POLB
SCHEMBL28021215 0.78 TSHR (0.50) TSHRPPARDTP53TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9486421-B2 Treatment of lung cells with histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC (US) 2016-11-08 US disclosed
US-8138225-B2 Histone deacetylase inhibitors based on alpha-ketoepoxide compounds ERRANT GENE THERAPEUTICS, LLC (US) 2012-03-20 US disclosed
US-7902259-B2 with zinc-binding activities; 5-phenyl-2,4,-pentadienoyl hydroxamic acid; gene expression inhibitor; anticarcinogenic, antitumor, antiprotozoa agent, viricide; hematological disorders, hemoglobinopathies, genetic related metabolic disorders, cystic fibrosis ERRANT GENE THERAPEUTICS, LLC (US) 2011-03-08 US disclosed
US-7858664-B2 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC (US) 2010-12-28 US disclosed
US-7842727-B2 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC (US) 2010-11-30 US disclosed
US-20100234455-A1 Histone Deacetylase Inhibitors ERRANT GENE THERAPEUTICS, LLC 2010-09-16 US disclosed
US-20100143961-A1 Histone deacetylase inhibitors based on alpha-ketoepoxide compounds ERRANT GENE THERAPEUTICS, LLC 2010-06-10 US disclosed
US-7579372-B2 Histone deacetylase inhibitors based on alpha-ketoepoxide compounds ERRANT GENE THERAPEUTICS, LLC (US) 2009-08-25 US disclosed
US-20080312324-A1 Treatment of lung cells with histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC 2008-12-18 US disclosed
US-7314953-B2 Treatment of lung cells with histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC (US) 2008-01-01 US disclosed
US-7312247-B2 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC (US) 2007-12-25 US disclosed
US-7214831-B2 Histone deacetylase inhibitors based on alpha-chalcogenmethylcarbonyl compounds ERRANT GENE THERAPEUTICS, LLC (US) 2007-05-08 US disclosed
US-7193105-B2 Histone deacetylase inhibitors based on trihalomethylcarbonyl compounds ERRANT GENE THERAPEUTICS, LLC (US) 2007-03-20 US disclosed
US-20070037869-A1 Treating spinal muscular atrophy with an effective amount of carboxylic acid derivative or hydroxamic acid derivative compound; treating cancer, blood disorders, genetic related metabolic disorders; 5-phenyl-2,4-pentadienoic acid ERRANT GENE THERAPEUTICS, LLC 2007-02-15 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 (3 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-20100234455-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 TSHR 662/4885PPARD 1114/4885TP53 2067/4885
US-20080312324-A1 Treatment of lung cells with histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 TSHR 3587/4885PPARD 964/4885TP53 4152/4885
US-20070037869-A1 Treating spinal muscular atrophy with an effective amount of carboxylic acid derivative or hydroxamic acid derivative compound; treating cancer, blood disorders, genetic related metabolic disorders; 5-phenyl-2,4-pentadienoic acid HDAC5, HDAC1, ZNF277 TSHR 3700/4885PPARD 207/4885TP53 2343/4885

“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.