SCHEMBL19977438

SCHEMBL19977438

CCC(O)(COC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL2032597 0.87 ALDH1A1 (0.43) ALDH1A1KMT2ATSHRTDP1L3MBTL1
SCHEMBL3124100 0.82 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAHTTTSHR
SCHEMBL2034400 0.81 ALDH1A1 (0.39) ALDH1A1TSHRNOS1NOS2
SCHEMBL29287973 0.79 DGAT1 (0.32) ALDH1A1
SCHEMBL18232027 0.79 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRMEN1
SCHEMBL283370 0.79
SCHEMBL3015419 0.77 ALDH1A1 (0.36) ALDH1A1KMT2ALMNAHTTTSHR
SCHEMBL28287867 0.76 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAHTTTSHR
SCHEMBL277359 0.76 ALDH1A1 (0.34) ALDH1A1KMT2ALMNAHTT
SCHEMBL10373136 0.73 MEN1 (0.31) ALDH1A1KMT2AMEN1CYP1A2THRB

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-20180079772-A1 SALTS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2018-03-22 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-20180079772-A1 SALTS OF HIV INHIBITOR COMPOUNDS SAMHD1, ZC3HAV1, CCR5 ALDH1A1 3475/4885KMT2A 2839/4885LMNA 3573/4885

“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.