SCHEMBL20944787

SCHEMBL20944787

C=CC1=C(C)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
APEX1 P27695 1/20 0.32
ACHE P22303 1/20 0.30
S100A4 P26447 1/20 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
SCHEMBL24726902 1.00 ALDH1A1 (0.36) ALDH1A1TSHRTP53TDP1CDC25A
SCHEMBL7152778 0.81 ALDH1A1 (0.45) ALDH1A1TSHRTP53TDP1CDC25B
SCHEMBL9068235 0.71 TSHR (0.47) ALDH1A1TSHRTP53TDP1CDC25A
SCHEMBL23865665 0.70
SCHEMBL21140993 0.70 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL3382872 0.69
SCHEMBL24042745 0.69 MAPT (0.34) ALDH1A1
SCHEMBL24042758 0.69 KDM4E (0.36) ACHE
SCHEMBL21726021 0.69 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL22113017 0.68 KMT2A (0.50) ALDH1A1TSHRTP53TDP1CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109749000-A Low temperature curable addition polymers from vinyl aryl cyclobutene-containing monomers and methods for making the same 罗门哈斯电子材料有限责任公司 2019-05-14 CN disclosed
EP-3480223-A1 LOW TEMPERATURE CURABLE ADDITION POLYMERS FROM VINYL ARYLCYCLOBUTENE-CONTAINING MONOMERS AND METHODS FOR MAKING THE SAME Rohm and Haas Electronic Materials LLC (US) 2019-05-08 EP disclosed
US-20190127506-A1 LOW TEMPERATURE CURABLE ADDITION POLYMERS FROM VINYL ARYLCYCLOBUTENE-CONTAINING MONOMERS AND METHODS FOR MAKING THE SAME ROHM & HAAS ELECT MAT (US) 2019-05-02 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-20190127506-A1 LOW TEMPERATURE CURABLE ADDITION POLYMERS FROM VINYL ARYLCYCLOBUTENE-CONTAINING MONOMERS AND METHODS FOR MAKING THE SAME NOD2, CARM1, ACMSD ALDH1A1 2993/4885TSHR 4704/4885TP53 4724/4885

“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.