SCHEMBL5932002

SCHEMBL5932002

C=C(C)Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.47
BCL2 P10415 1/20 0.45
PTGES O14684 1/20 0.44
AOC3 Q16853 3/20 0.44
FAAH O00519 1/20 0.43
NAAA Q02083 1/20 0.43
GGPS1 O95749 2/20 0.42
PRKCI P41743 1/20 0.42
SHMT1 P34896 1/20 0.41
SHMT2 P34897 1/20 0.41
IDH1 O75874 1/20 0.41
PTGS2 P35354 2/20 0.41
NR4A2 P43354 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL28206743 0.84 AGXT (0.50) AGXTBCL2PTGESAOC3FAAH
SCHEMBL20262937 0.83 SLC7A5 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28977318 0.82 LMNA (0.57) AGXT
SCHEMBL531194 0.81 CES1 (0.50)
SCHEMBL11339635 0.81 CES1 (0.50)
Benzene SCHEMBL9806260 0.81 CES1 (0.50)
SCHEMBL15214656 0.81 BCL2 (0.53) AGXTBCL2PTGESAOC3FAAH
SCHEMBL14565973 0.80 AGXT (0.47) AGXTBCL2PTGESAOC3FAAH
SCHEMBL27842022 0.79 PRKCI (0.47) AGXTBCL2AOC3FAAHNAAA
SCHEMBL2302646 0.79 BCL2 (0.56) AGXTBCL2PTGESAOC3FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006047158-A2 NOVEL COMPOSITIONS OF MONOMERS, OLIGOMERS AND POLYMERS AND METHODS FOR MAKING THE SAME HOKU SCIENTIFIC, INC. (US) 2006-05-04 WO disclosed
WO-2006047329-A2 NOVEL COMPOSITIONS OF MONOMERS, OLIGOMERS AND POLYMERS AND METHODS FOR MAKING THE SAME HOKU SCIENTIFIC, INC. (US) 2006-05-04 WO disclosed
WO-2006047157-A2 NOVEL COMPOSITIONS OF MONOMERS, OLIGOMERS AND POLYMERS AND METHODS FOR MAKING THE SAME HOKU SCIENTIFIC, INC. (US) 2006-05-04 WO disclosed
US-20060089510-A1 Novel compositions of monomers, oligomers and polymers and methods for making the same HOKU SCIENTIFIC, INC. - A DELAWARE CORPORATION 2006-04-27 US disclosed
US-20060088748-A1 Novel compositions of monomers, oligomers and polymers and methods for making the same HOKU SCIENTIFIC, INC. - A DELAWARE CORPORATION 2006-04-27 US disclosed
US-20060088749-A1 Novel compositions of monomers, oligomers and polymers and methods for making the same HOKU SCIENTIFIC, INC. - A DELAWARE CORPORATION 2006-04-27 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-20060089510-A1 Novel compositions of monomers, oligomers and polymers and methods for making the same SMC2, SMC3, SMC4 AGXT 4159/4885BCL2 3069/4885PTGES 4059/4885

“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.