SCHEMBL21774385

SCHEMBL21774385

C[CH]c1c(O)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
SLC22A1 O15245 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAOA P21397 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL1547930 0.83 ALDH1A1 (0.55) TSHRALDH1A1KMT2ATDP1MEN1
SCHEMBL6824604 0.78 TSHR (0.46) TSHRALDH1A1KMT2ATDP1MEN1
SCHEMBL6824608 0.78 TSHR (0.46) TSHRALDH1A1KMT2ATDP1MEN1
SCHEMBL12473714 0.78 SMN1; SMN2 (0.48) TSHRALDH1A1KMT2ATDP1MEN1
SCHEMBL320613 0.77 ALDH1A1 (0.70) TSHRALDH1A1KMT2ATDP1MEN1
SCHEMBL1988801 0.77 TSHR (0.50) TSHRALDH1A1KMT2ATDP1MEN1
SCHEMBL30660892 0.77 ALDH1A1 (0.70) TSHRALDH1A1KMT2ATDP1MEN1
Ammonia Solution, Strong SCHEMBL28716654 0.76 ALDH1A1 (0.67) TSHRALDH1A1KMT2ATDP1MEN1
SCHEMBL14127122 0.74 ALDH1A1 (0.46) TSHRALDH1A1KMT2ATDP1MEN1
SCHEMBL10906914 0.73 KDM1A (0.41) TSHRALDH1A1KMT2ASMN1; SMN2SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647667-B2 Method for preparing 3-substituted 2-vinylphenyl sulfonates BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-05-12 US disclosed
US-20200071267-A1 METHOD FOR PREPARING 3-SUBSTITUTED 2-VINYLPHENYL SULFONATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-03-05 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 (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-10647667-B2 Method for preparing 3-substituted 2-vinylphenyl sulfonates STS, TST, TPST2 TSHR 3562/4885ALDH1A1 2168/4885KMT2A 1775/4885
US-20200071267-A1 METHOD FOR PREPARING 3-SUBSTITUTED 2-VINYLPHENYL SULFONATES STS, TST, TPST2 TSHR 3562/4885ALDH1A1 2168/4885KMT2A 1775/4885

“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.