SCHEMBL1685686

SCHEMBL1685686

CC(=O)OC(Cl)C=C(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
GALR3 O60755 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL9753970 0.83 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1685647 0.81 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11801356 0.78 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11801350 0.78 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL324183 0.77
SCHEMBL11063881 0.76 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6646058 0.75
SCHEMBL18121599 0.72 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL27899270 0.72 TSHR (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9296301 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104086370-A Preparation method of isopentenol GUANGXI XINJING TECHNOLOGY CO LTD 2014-10-08 CN disclosed
CN-103922894-A Preparation method of isopentenol GUANGXI XINJING TECHNOLOGY CO LTD 2014-07-16 CN disclosed
EP-1950208-B1 PROCESS FOR PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE SUMITOMO CHEMICAL CO (JP) 2012-05-02 EP disclosed
US-7928253-B2 Method of producing 6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-19 US disclosed
US-20100168463-A1 METHOD OF PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-01 US disclosed
EP-1950208-A1 PROCESS FOR PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE Sumitomo Chemical Company, Limited (JP) 2008-07-30 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 (1 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-20100168463-A1 METHOD OF PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE CYP1B1, HACL2, CMA1 TSHR 2332/4885CHRM2 714/4885CHRM4 2071/4885

“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.