SCHEMBL7815372

SCHEMBL7815372

C=CCOC(=O)CC=CCCOC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
CYP3A4 P08684 3/20 0.35
MAPT P10636 3/20 0.35
USP2 O75604 2/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 5/20 0.33
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32

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
SCHEMBL9395434 0.82 TSHR (0.48) TDP1TSHRALOX15SMN1; SMN2CYP3A4
SCHEMBL9395446 0.82 TSHR (0.48) TDP1TSHRALOX15SMN1; SMN2CYP3A4
SCHEMBL28263077 0.81 TSHR (0.51) TDP1TSHRSMN1; SMN2CYP3A4MAPT
SCHEMBL13670835 0.79 ALOX15 (0.40) TSHRALOX15SMN1; SMN2LMNAALDH1A1
SCHEMBL5716962 0.78 SMN1; SMN2 (0.44) TSHRALOX15SMN1; SMN2CYP3A4MAPT
SCHEMBL5716961 0.78 SMN1; SMN2 (0.44) TSHRALOX15SMN1; SMN2CYP3A4MAPT
SCHEMBL1906626 0.78 ALDH1A1 (0.50) TSHRALOX15SMN1; SMN2CYP3A4MAPT
SCHEMBL1906628 0.78 ALDH1A1 (0.50) TSHRALOX15SMN1; SMN2CYP3A4MAPT
SCHEMBL11015965 0.77 TSHR (0.43) TDP1TSHRSMN1; SMN2CYP3A4MAPT
SCHEMBL11015960 0.77 TSHR (0.43) TDP1TSHRSMN1; SMN2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010053858-A1 Processes for producing epsilon caprolactones and/or hydrates and/or esters thereof TJADEN ERIK BRUCE (US) 2001-12-20 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-20010053858-A1 Processes for producing epsilon caprolactones and/or hydrates and/or esters thereof CHRNE, POLL, ECH1 TDP1 1298/4885TSHR 2609/4885ALOX15 2408/4885

“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.