SCHEMBL4154987

SCHEMBL4154987

CCOC(=O)/C=C(\C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PRSS1 P07477 1/20 0.44
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL4154989 1.00 TSHR (0.46) TSHRSMN1; SMN2F2PLGPRSS1
SCHEMBL4154993 1.00 TSHR (0.46) TSHRSMN1; SMN2F2PLGPRSS1
SCHEMBL11546167 0.89 SCN9A (0.44) TSHRSMN1; SMN2F2PLGPRSS1
SCHEMBL11546171 0.89 SCN9A (0.44) TSHRSMN1; SMN2F2PLGPRSS1
SCHEMBL28517911 0.87 F2 (0.42) TSHRSMN1; SMN2F2PLGPRSS1
SCHEMBL9765325 0.86 ALDH1A1 (0.52) SMN1; SMN2F2PLGPRSS1HPGD
SCHEMBL9765340 0.86 ALDH1A1 (0.52) SMN1; SMN2F2PLGPRSS1HPGD
SCHEMBL9765327 0.86 ALDH1A1 (0.52) SMN1; SMN2F2PLGPRSS1HPGD
SCHEMBL31749569 0.84 TSHR (0.45) TSHRSMN1; SMN2HPGDMAPTMAPK1
SCHEMBL7071171 0.84 MAPT (0.46) TSHRSMN1; SMN2HPGDMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1802587-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 TSHR 4794/4885SMN1; SMN2 125/4885F2 2114/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 TSHR 4479/4885SMN1; SMN2 96/4885F2 1972/4885

“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.