SCHEMBL3241097

SCHEMBL3241097

C/C=C(\C)C(C)OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
GALR3 O60755 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31

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
SCHEMBL3241099 1.00 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9541740 0.84 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9541738 0.84 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9541736 0.84 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL31179924 0.80 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7875451 0.78 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7875454 0.78 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18225 0.77
SCHEMBL16316794 0.77
SCHEMBL359717 0.77

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-7745654-B2 Process for the preparation of vinyl- or allyl-containing compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-29 US disclosed
US-7304184-B2 Process for producing allyl-containing compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-04 US disclosed
EP-1840115-A2 Process for the preparation of vinyl- or allyl-containing compounds Daicel Chemical Industries, Ltd. (JP) 2007-10-03 EP disclosed
US-20070213549-A1 Process for the preparation of vinyl- or allyl-containing compounds DAICEL CHEMICAL INDUSTRIES, LTD. 2007-09-13 US disclosed
EP-1803701-A1 Process for the preparation of vinyl ether compounds Daicel Chemical Industries, Ltd. (JP) 2007-07-04 EP disclosed
US-20070149828-A1 Process for the preparation of vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. 2007-06-28 US disclosed
US-20040171885-A1 Process for producing allyl-containing compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-02 US disclosed
EP-1452516-A2 Process for producing allyl-containing compounds Daicel Chemical Industries, Ltd. (JP) 2004-09-01 EP 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-20070149828-A1 Process for the preparation of vinyl ether compounds ETV6, RER1, CBR1 TSHR 1106/4885CHRM2 1561/4885CHRM4 1639/4885
US-20070213549-A1 Process for the preparation of vinyl- or allyl-containing compounds ESRRB, NR0B2, ESRRA TSHR 968/4885CHRM2 312/4885CHRM4 874/4885
US-20040171885-A1 Process for producing allyl-containing compounds SRD5A2, RPS4Y1, SULT1E1 TSHR 2424/4885CHRM2 3795/4885CHRM4 2831/4885

“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.