SCHEMBL13813445

SCHEMBL13813445

CCCC(O)CC(C)(O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.52
ADRA1A P35348 2/20 0.52
HMGCR P04035 1/20 0.52
TBXA2R P21731 1/20 0.52
HSPD1 P10809 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
GPR84 Q9NQS5 4/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL18595378 0.89 HMGCR (0.48) CHRM1ADRA1AHMGCRTBXA2RHSPD1
SCHEMBL13800594 0.85 HMGCR (0.52) CHRM1ADRA1AHMGCRTBXA2RHSPD1
SCHEMBL28100112 0.78 HMGCR (0.58) CHRM1ADRA1AHMGCRTBXA2RTDP1
SCHEMBL16074696 0.75 LMNA (0.32) TSHR
SCHEMBL724008 0.73 HMGCR (0.64) CHRM1ADRA1AHMGCRTBXA2RHSPD1
SCHEMBL28715378 0.73 HMGCR (0.64) CHRM1ADRA1AHMGCRTBXA2RTDP1
SCHEMBL15518117 0.72 CHRM1 (0.44) CHRM1ADRA1AHMGCRTBXA2RHSPD1
SCHEMBL7766103 0.72 HMGCR (0.56) CHRM1ADRA1AHMGCRTBXA2RHSPD1
SCHEMBL14876931 0.72 CHRM1 (0.44) CHRM1ADRA1AHMGCRTBXA2RHSPD1
SCHEMBL1928669 0.72 FDPS (0.33) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585964-B2 Liver targeted conjugates PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-07 US disclosed
EP-1948600-B1 LIVER TARGETED CONJUGATES HARVARD COLLEGE (US) 2014-04-16 EP disclosed
US-20130245101-A1 Liver Targeted Conjugates PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-09-19 US disclosed
US-20090162316-A1 LIVER TARGETED CONJUGATES HARVARD UNIVERSITY (US) 2009-06-25 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 (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-20130245101-A1 Liver Targeted Conjugates LDLR, HMGCR, FABP1 CHRM1 4573/4885ADRA1A 2567/4885HMGCR 2/4885
US-20090162316-A1 LIVER TARGETED CONJUGATES HMGCR, FABP1, SLC10A1 CHRM1 4543/4885ADRA1A 2724/4885HMGCR 1/4885

“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.