SCHEMBL9114040

SCHEMBL9114040

CC(C)C1CCCCC(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.31
CYP1A2 P05177 2/20 0.31
PRKCA P17252 3/20 0.31
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
CYP2D6 P10635 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL22921248 0.94 CA1 (0.41) CA1CA9CYP1A2PRKCATNKS
SCHEMBL5585129 0.94 CA1 (0.41) CA1CA9CYP1A2PRKCATNKS
SCHEMBL14131263 0.85
SCHEMBL1107367 0.85
SCHEMBL14131228 0.85
SCHEMBL14968783 0.82 CA1 (0.34) CA1CA9
SCHEMBL28481690 0.82 CA1 (0.37) CA1CA9CA2CA4KMT2A
SCHEMBL8151656 0.80 CA1 (0.34) CA1CA9CA2CA4TSHR
SCHEMBL20799724 0.76 CA1 (0.38) CA1CA9ALDH1A1CYP1A2PRKCA
Lactic Acid SCHEMBL7156907 0.76 TP53 (0.34) CA1CA9KMT2ATSHRPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1803204-A Absorbable biological medicinal membrane CHENGDU ORGANIC CHEMICALS CO (CN) 2006-07-19 CN claimed
WO-1995011927-A1 POLYESTER-MODIFIED POLYDIENE/ACRYLOURETHANE OLIGOMERS LORD CORPORATION (US) 1995-05-04 WO claimed
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS LAIRD ELLEN 2009-07-09 US disclosed
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS LAIRD ELLEN 2009-07-09 US disclosed
US-7491829-B2 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. (US) 2009-02-17 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-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS BRAF, RAF1, ARAF CA1 3950/4885CA9 4117/4885CA2 4281/4885

“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.