SCHEMBL9947121

SCHEMBL9947121

CCC(CC)(CC)COC(=O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.79
HIF1A Q16665 1/20 0.79
LMNA P02545 2/20 0.59
TDP1 Q9NUW8 4/20 0.58
SLC6A3 Q01959 2/20 0.58
CYP2D6 P10635 2/20 0.58
HTR1A P08908 1/20 0.58
SCN1A P35498 1/20 0.58
SCN5A Q14524 1/20 0.58
SCN2A Q99250 1/20 0.58
SCN3A Q9NY46 1/20 0.58
KMT2A Q03164 3/20 0.52
SLC6A2 P23975 1/20 0.52
TSHR P16473 3/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL235921 0.98 MAPK1 (0.81) MAPK1HIF1ALMNATDP1SLC6A3
SCHEMBL1786754 0.96 MAPK1 (0.79) MAPK1HIF1ALMNATDP1SLC6A3
SCHEMBL14185291 0.93 MAPK1 (0.69) MAPK1HIF1ALMNATDP1SLC6A3
SCHEMBL812786 0.91 MAPK1 (0.71) MAPK1HIF1ALMNATDP1SLC6A3
SCHEMBL505769 0.91 MAPK1 (0.71) MAPK1HIF1ALMNATDP1SLC6A3
SCHEMBL813094 0.91 MAPK1 (0.71) MAPK1HIF1ALMNATDP1SLC6A3
SCHEMBL11436193 0.91 MAPK1 (0.71) MAPK1HIF1ALMNATDP1SLC6A3
Ethylene Glycol SCHEMBL17996173 0.91 MAPK1 (0.71) MAPK1HIF1ALMNATDP1SLC6A3
SCHEMBL12930112 0.90 MAPK1 (0.69) MAPK1HIF1ALMNATDP1SLC6A3
SCHEMBL12930110 0.90 MAPK1 (0.69) MAPK1HIF1ALMNATDP1SLC6A3

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
US-8808681-B2 Crosslinked, degradable polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-08-19 US disclosed
US-8562966-B2 End-modified poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-22 US disclosed
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 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-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, POLL MAPK1 4777/4885HIF1A 2383/4885LMNA 566/4885

“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.