SCHEMBL1073281

SCHEMBL1073281

CC(C(=O)O)=C1CCCC(C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.31
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRG2 P18507 1/20 0.30
RXRA P19793 1/20 0.30
GABRB3 P28472 1/20 0.30
RXRB P28702 1/20 0.30
GABRB2 P47870 1/20 0.30
RXRG P48443 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
SCHEMBL9193363 0.88 NPC1 (0.34) ALDH1A1TP53KDM4ESMN1; SMN2POLB
SCHEMBL10950925 0.77 NOS3 (0.34) ALDH1A1TP53KDM4ESMN1; SMN2GAA
SCHEMBL6711092 0.77 GRIK1 (0.34) ALDH1A1TP53KDM4ESMN1; SMN2GAA
SCHEMBL6711088 0.77 GRIK1 (0.34) ALDH1A1TP53KDM4ESMN1; SMN2GAA
SCHEMBL1073282 0.75 TLR4 (0.34) ALDH1A1KDM4EGAAGABRA1TSHR
SCHEMBL4659117 0.74
SCHEMBL1357983 0.74 GRIK1 (0.38)
SCHEMBL1073334 0.73 NOS3 (0.32) ALDH1A1TP53KDM4ESMN1; SMN2GAA
Acetic Acid SCHEMBL9140519 0.72 THRB (0.43) ALDH1A1TP53KDM4ESMN1; SMN2GAA
SCHEMBL9432289 0.72 GRIK1 (0.39) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797953-B1 PROCESS FOR PRODUCING OXYGENIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2011-01-05 EP disclosed
CN-1988955-B Method for producing oxygen-containing compound SUMITOMO CHEMICAL CO 2010-09-29 CN disclosed
CN-100432041-C Method for producing oxygen-containing compound SUMITOMO CHEMICAL CO (JP) 2008-11-12 CN disclosed
US-20080064898-A1 Method for Producing Oxygen-Containing Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-13 US disclosed
US-7276622-B2 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-02 US disclosed
CN-1988955-A Method for producing oxygen-containing compound SUMITOMO CHEMICAL CO (JP) 2007-06-27 CN disclosed
EP-1797953-A1 PROCESS FOR PRODUCING OXYGENIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-06-20 EP disclosed
US-20060173221-A1 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-03 US disclosed
CN-1761641-A Method for producing oxygen-containing compound SUMITOMO CHEMICAL CO (JP) 2006-04-19 CN disclosed
EP-1609777-A1 METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND Sumitomo Chemical Company, Limited (JP) 2005-12-28 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 (2 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-20080064898-A1 Method for Producing Oxygen-Containing Compound AOC2, AOX1, CAT ALDH1A1 36/4885TP53 4131/4885KDM4E 1811/4885
US-20060173221-A1 Method for producing oxygen-containing compound GPX4, DUOX2, SCO2 ALDH1A1 863/4885TP53 4457/4885KDM4E 2181/4885

“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.