SCHEMBL22168540

SCHEMBL22168540

C=C(C)C(=O)OCCOC(=O)c1cc(I)cc(C)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 5/20 0.35
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 7/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SERPINE1 P05121 1/20 0.31
HSD17B10 Q99714 5/20 0.31
HPGD P15428 3/20 0.31
GLA P06280 2/20 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
SCHEMBL22168539 0.88 THRB (0.40) THRBCA1CA2TSHRTDP1
SCHEMBL22193458 0.82 TSHR (0.44) THRBCA1CA2TSHRTDP1
SCHEMBL22168537 0.80 ALDH1A1 (0.40) THRBCA1CA2TSHRTDP1
SCHEMBL29623140 0.80 THRB (0.41) THRBCA1CA2TSHRTDP1
SCHEMBL6886176 0.80 THRB (0.41) THRBCA1CA2TSHRTDP1
SCHEMBL23601629 0.78 ESR1 (0.41) THRBCA1CA2TSHRTDP1
SCHEMBL18385073 0.78 THRB (0.42) THRBCA1CA2TSHRTDP1
SCHEMBL10040690 0.76 THRB (0.53) THRBCA1CA2TSHRTDP1
SCHEMBL5030578 0.76 TDP1 (0.46) THRBCA1CA2CYP2D6CYP19A1
SCHEMBL22005686 0.76 THRB (0.46) THRBCA1CA2TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200209747-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-02 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 (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-20200209747-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS INSR, INSRR, ZFR THRB 475/4885CA1 4112/4885CA2 4122/4885

“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.