SCHEMBL9945700

SCHEMBL9945700

CC(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.31
PIK3CD O00329 1/20 0.31
ESR1 P03372 1/20 0.30

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
SCHEMBL9945705 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL9945703 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL17401247 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL17401249 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL8731954 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL17401248 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL42956 0.96 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA9
SCHEMBL10882313 0.94 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL4323031 0.93 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
Potassium SCHEMBL2529395 0.93 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2664/4885CA12 3796/4885CA1 4029/4885

“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.