SCHEMBL19625969

SCHEMBL19625969

CC(=O)OCCCOC(=O)/C=C\C=C/C(=O)OCCCOC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
ALDH1A1 P00352 4/20 0.52
HCAR2 Q8TDS4 4/20 0.47
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CYP3A4 P08684 1/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL1653010 0.85 ATM (0.52) ATMALDH1A1HCAR2TSHRHPGD
SCHEMBL12462153 0.83 ATM (0.54) ATMALDH1A1HCAR2TSHRHPGD
SCHEMBL28908589 0.81 ATM (0.56) ATMALDH1A1HCAR2TSHRRAB9A
SCHEMBL315271 0.81 ALDH1A1 (0.74) ATMALDH1A1TSHRRAB9ACHRM5
SCHEMBL1602604 0.80 ATM (0.47) ATMALDH1A1HCAR2TSHRHPGD
SCHEMBL14992789 0.80 ATM (0.83) ATMALDH1A1HCAR2TSHRHPGD
SCHEMBL2945977 0.80 ATM (0.83) ATMALDH1A1HCAR2TSHRHPGD
SCHEMBL821281 0.80 ATM (0.83) ATMALDH1A1HCAR2TSHRHPGD
SCHEMBL12975138 0.80 ATM (0.83) ATMALDH1A1HCAR2TSHRHPGD
SCHEMBL2944637 0.78 ATM (0.72) ATMHCAR2TSHRHPGDRAB9A

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-20170335031-A1 POLYMERS FROM MUCONIC ACID ISOMERS AND ITS DERIVATIVES PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2017-11-23 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-20170335031-A1 POLYMERS FROM MUCONIC ACID ISOMERS AND ITS DERIVATIVES SORD, SUCNR1, SLC16A7 ATM 2068/4885ALDH1A1 820/4885HCAR2 372/4885

“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.