SCHEMBL6232122

SCHEMBL6232122

C=C(C)C(=O)NC(C)(C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
RXFP1 Q9HBX9 1/20 0.36
TGFBR1 P36897 1/20 0.35
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.30
POLB P06746 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
SCHEMBL15019990 0.83 RXFP1 (0.34) PIK3CDRXFP1TGFBR1ALDH1A1TDP1
SCHEMBL21252699 0.83 PIK3CD (0.34) PIK3CDRXFP1TGFBR1ALDH1A1
SCHEMBL25685612 0.79 RXFP1 (0.37) RXFP1TGFBR1ALDH1A1TDP1KDM4E
SCHEMBL9682306 0.78 RXFP1 (0.34) PIK3CDRXFP1TGFBR1ALDH1A1TDP1
SCHEMBL31616195 0.78 TGFBR1 (0.34) RXFP1TGFBR1
SCHEMBL6840899 0.78 TGFBR1 (0.38) PIK3CDRXFP1TGFBR1ALDH1A1TDP1
Hydrochloric Acid SCHEMBL8941472 0.77 KDM4E (0.35) PIK3CDRXFP1TGFBR1ALDH1A1KDM4E
SCHEMBL13218356 0.76 PIK3CD (0.48) PIK3CDPOLB
SCHEMBL21332619 0.76 RXFP1 (0.35) RXFP1TGFBR1ALDH1A1
SCHEMBL20633879 0.75 PIK3CD (0.41) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200388876-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH SILICON CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2020-12-10 US disclosed
EP-0857766-B1 Process for producing aqueous ink for inkjet printing KAO CORP (JP) 2005-04-20 EP disclosed
US-5998501-A DISSOLVING POLYMER AND HYDROPHOBIC DYE IN WATER INSOLUBLE SOLVENT; ADDING WATER AND NEUTRALIZING AGENT; EMULSIFICATION; DESOLVENTIZING KAO CORPORATION (JP) 1999-12-07 US disclosed
EP-0857766-A1 Process for producing aqueous ink for inkjet printing KAO CORPORATION (JP) 1998-08-12 EP 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-20200388876-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH SILICON CONTAINING ELECTROLYTE ADDITIVES SELENOI, SIK1, SIK2 PIK3CD 1567/4885RXFP1 4837/4885TGFBR1 4290/4885

“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.