SCHEMBL19944904

SCHEMBL19944904

CC(C)C(C)(C)NCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PTGS2 P35354 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ECE1 P42892 1/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CTH P32929 1/20 0.34
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 3/20 0.33
HIF1A Q16665 2/20 0.33
TSHR P16473 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
SCHEMBL28244251 0.83 ALDH1A1 (0.40) PIK3CDALDH1A1LMNAMAPTPTGS2
SCHEMBL22305053 0.83 PIK3CD (0.42) PIK3CDALDH1A1TDP1
SCHEMBL24847195 0.81 PIK3CD (0.41) PIK3CD
SCHEMBL19944905 0.81 PIK3CD (0.41) PIK3CD
SCHEMBL19944903 0.79 TET2 (0.43) PIK3CDALDH1A1LMNACYP2D6TSHR
SCHEMBL25101958 0.79 PIK3CD (0.39) PIK3CDTDP1
SCHEMBL22951127 0.78 PIK3CD (0.38) PIK3CD
SCHEMBL22952341 0.78 PIK3CD (0.38) PIK3CDALDH1A1TSHR
SCHEMBL7965445 0.76
SCHEMBL20953388 0.74 PIK3CD (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 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-20180065932-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 PIK3CD 2204/4885ALDH1A1 4011/4885LMNA 2978/4885

“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.