SCHEMBL21068709

SCHEMBL21068709

CC(O)C(C)OCCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CA1 P00915 3/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
KMT2A Q03164 3/20 0.43
NAAA Q02083 1/20 0.41
RCE1 Q9Y256 1/20 0.41
HTT P42858 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 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
SCHEMBL21068706 1.00 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL21068961 1.00 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL17697791 0.86 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL21068517 0.85 TSHR (0.45) TSHRCA1CA2CA7CA9
SCHEMBL21068714 0.85 TSHR (0.45) TSHRCA1CA2CA7CA9
SCHEMBL21068518 0.85 TSHR (0.45) TSHRCA1CA2CA7CA9
SCHEMBL21647504 0.84 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL1594904 0.84 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL875014 0.83 RCE1 (0.54) TSHRCA1CA2CA7CA9
SCHEMBL15013883 0.83 RCE1 (0.54) TSHRCA1CA2CA7CA9

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-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 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-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 TSHR 687/4885CA1 1332/4885CA2 2944/4885

“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.