SCHEMBL18283306

SCHEMBL18283306

COC(=O)C(=CC(=O)O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.34
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TGFBR1 P36897 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
GAA P10253 1/20 0.31
KDM1A O60341 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
SCHEMBL18283305 1.00 HCAR2 (0.34) HCAR2ALDH1A1KDM4EMAPTTGFBR1
SCHEMBL16160201 0.83 ALDH1A1 (0.36) HCAR2ALDH1A1KDM4EMAPTTGFBR1
SCHEMBL27714989 0.82 HCAR2 (0.40) HCAR2ALDH1A1
SCHEMBL7743142 0.80 HCAR2 (0.43) HCAR2ALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL27910123 0.80 HCAR2 (0.39) HCAR2ALDH1A1
SCHEMBL23551429 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9709197 0.77
SCHEMBL13285305 0.76 ALDH1A1 (0.35) HCAR2ALDH1A1
SCHEMBL346752 0.75 KDM4E (0.33) HCAR2ALDH1A1KDM4EGAAKDM1A
SCHEMBL25271271 0.75 ALDH1A1 (0.34) ALDH1A1

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-20180179499-A1 BIOBASED PRODUCTION OF FUNCTIONALIZED ALPHA-SUBSTITUTED ACRYLATES AND C4-DICARBOXYLATES LCY BIOSCIENCES INC. (CA) 2018-06-28 US disclosed
EP-3303375-A1 BIOBASED PRODUCTION OF FUNCTIONALIZED ALPHA-SUBSTITUTED ACRYLATES AND C4-DICARBOXYLATES BioAmber Inc. (US) 2018-04-11 EP disclosed
WO-2016196962-A1 BIOBASED PRODUCTION OF FUNCTIONALIZED ALPHA-SUBSTITUTED ACRYLATES AND C4-DICARBOXYLATES BIOAMBER INC. (US) 2016-12-08 WO 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-20180179499-A1 BIOBASED PRODUCTION OF FUNCTIONALIZED ALPHA-SUBSTITUTED ACRYLATES AND C4-DICARBOXYLATES COASY, ADSL, ALAD HCAR2 219/4885ALDH1A1 157/4885KDM4E 3251/4885

“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.