SCHEMBL10212337

SCHEMBL10212337

CC(C)C(=O)CC(C)(Br)Br

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 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
SCHEMBL10308344 0.78 KDM4E (0.33) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL7910108 0.78 HMGCR (0.33) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL7917694 0.76 PIK3CD (0.46) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL13201626 0.75
SCHEMBL18264641 0.74 CYP2C19 (0.32) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL22253948 0.74 PIK3CD (0.31) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL10212340 0.74 PIK3CD (0.31) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL17449479 0.74 PIK3CD (0.35) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL10212341 0.74 PIK3CD (0.31) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL5693007 0.72 ALDH1A1 (0.31) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096446-A1 Extended Triterpene Derivatives MYREXIS, INC. (US) 2017-04-06 US disclosed
US-9505800-B2 Extended triterpene derivatives MYREXIS, INC. (US) 2016-11-29 US disclosed
US-20120046291-A1 Extended Triterpene Derivatives MYREXIS, INC. 2012-02-23 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 (2 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-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO PIK3CD 582/4885HMGCR 254/4885CHRM1 3305/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO PIK3CD 582/4885HMGCR 254/4885CHRM1 3305/4885

“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.