SCHEMBL1073282

SCHEMBL1073282

CC(C(=O)O)=C1CCC(C)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP2C19 P33261 2/20 0.33
ACHE P22303 1/20 0.32
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
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

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 0.87 NPC1 (0.34) TLR4ALDH1A1USP2KMT2AGABRA1
SCHEMBL813681 0.80
Acetic Acid SCHEMBL8598737 0.78 FFAR3 (0.41)
SCHEMBL6666334 0.77 GLA (0.40) ALDH1A1USP2MEN1KMT2ARXRA
SCHEMBL4659117 0.75
SCHEMBL1357983 0.75 GRIK1 (0.38)
SCHEMBL1073281 0.75 ALDH1A1 (0.36) ALDH1A1CYP1A2GABRA1TSHRGABRG2
SCHEMBL9432289 0.73 GRIK1 (0.39) ALDH1A1KMT2A
SCHEMBL3459311 0.72 NOS3 (0.36) TLR4NOS3NOS1NOS2
SCHEMBL16230473 0.70 TLR4 (0.37) TLR4

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 8 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
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
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 TLR4 4517/4885ALDH1A1 36/4885CYP2C19 638/4885
US-20060173221-A1 Method for producing oxygen-containing compound GPX4, DUOX2, SCO2 TLR4 4298/4885ALDH1A1 863/4885CYP2C19 563/4885

“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.