SCHEMBL11791908

SCHEMBL11791908

CC(=O)OCC=CCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 5/20 0.37
ALOX15 P16050 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 4/20 0.33
TDP1 Q9NUW8 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL11791904 1.00 PTPN1 (0.41) PTPN1ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL17880417 1.00 PTPN1 (0.41) PTPN1ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL221749 0.83 ALDH1A1 (0.50) PTPN1ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL74779 0.83 ALDH1A1 (0.50) PTPN1ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL271027 0.83 ALDH1A1 (0.50) PTPN1ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL24763385 0.83 TSHR (0.33) TSHRTDP1
SCHEMBL31298510 0.82 PTPN1 (0.38) PTPN1ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL5074213 0.80 PTPN1 (0.34) PTPN1ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL30902273 0.80 ALDH1A1 (0.39) PTPN1ALDH1A1ALOX15LMNAHSD17B10
SCHEMBL17880457 0.79 TSHR (0.39) PTPN1ALDH1A1ALOX15LMNAHSD17B10

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
EP-2487149-A1 METHOD FOR PRODUCING KETONE JX Nippon Oil & Energy Corporation (JP) 2012-08-15 EP disclosed
US-20120197036-A1 METHOD FOR MANUFACTURING KETONE OSAKA UNIVERSITY (JP) 2012-08-02 US disclosed
US-3949007-A METAL HYDROXIDE OR ALKOXIDE CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 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-20120197036-A1 METHOD FOR MANUFACTURING KETONE CBR1, CBR3, DUOX1 PTPN1 4615/4885ALDH1A1 79/4885ALOX15 541/4885

“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.