SCHEMBL1676848

SCHEMBL1676848

CC(C)=CCN[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.51
ACE P12821 7/20 0.50
MME P08473 5/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
SLC7A5 Q01650 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL1676845 1.00 FOLH1 (0.51) FOLH1ACEMMECPA1ACE2
SCHEMBL598433 0.82 FOLH1 (0.50) FOLH1ACEMMECPA1ACE2
SCHEMBL598434 0.82 FOLH1 (0.50) FOLH1ACEMMECPA1ACE2
SCHEMBL8393439 0.80 FOLH1 (0.55) FOLH1ACEMMECPA1ACE2
SCHEMBL547122 0.80 FOLH1 (0.61) FOLH1ACEMMECPA1ACE2
SCHEMBL1287829 0.80 FOLH1 (0.61) FOLH1ACEMMECPA1ACE2
SCHEMBL547121 0.80 FOLH1 (0.61) FOLH1ACEMMECPA1ACE2
Hydrochloric Acid SCHEMBL7310754 0.78 FOLH1 (0.60) FOLH1ACEMMECPA1ACE2
Hydrochloric Acid SCHEMBL7310747 0.78 FOLH1 (0.60) FOLH1ACEMMECPA1ACE2
Hydrochloric Acid SCHEMBL28885042 0.78 FOLH1 (0.60) FOLH1ACEMMECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098477-A1 Method Of Producing Compound Having Anti-Hcv Activity CHUGAI SEIYAKU KABUSHIKI KAISHA 2011-04-28 US disclosed
EP-1908846-A1 METHOD OF PRODUCING COMPOUND HAVING ANTI-HCV ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-04-09 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-20110098477-A1 Method Of Producing Compound Having Anti-Hcv Activity ERG28, HCCS, BCAT2 FOLH1 2346/4885ACE 472/4885MME 677/4885

“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.