SCHEMBL23910080

SCHEMBL23910080

COCc1c(C)cccc1-c1ccccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ESR2 Q92731 1/20 0.40
GAA P10253 3/20 0.36
AR P10275 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM5A P29375 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CTSA P10619 1/20 0.34
LRRK2 Q5S007 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL1472952 0.75 TSHR (0.67) TSHRESR2GAAARKDM4E
SCHEMBL8750400 0.73 CYP1A2 (0.39) TSHRGAAHSD17B10ALDH1A1HPGD
SCHEMBL21189098 0.73 TSHR (0.57) TSHRESR2GAAARKDM4E
SCHEMBL9313227 0.73 TSHR (0.57) TSHRESR2ARHSD17B10ALDH1A1
SCHEMBL1132593 0.72 TSHR (0.61) TSHRESR2GAAARKDM4E
SCHEMBL6953214 0.71 ESR2 (0.59) ESR2CNR2
SCHEMBL2186547 0.71 TSHR (0.59) TSHRESR2ARKDM4EMEN1
SCHEMBL222 0.71 ESR2 (0.60) TSHRESR2ARHSD17B10KDM4E
SCHEMBL29412287 0.71 ESR2 (0.60) TSHRESR2ARHSD17B10KDM4E
SCHEMBL16892266 0.70 HTR2A (0.37) TSHRGAAARMEN1KMT2A

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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 TSHR 2535/4885ESR2 3244/4885GAA 521/4885

“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.