SCHEMBL3662915

SCHEMBL3662915

CCC(C)(C)OCCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL25677316 0.91 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL25905265 0.91 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL9750744 0.86 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL17264065 0.82 ALDH1A1 (0.37) ALDH1A1TDP1CA12CA1CA2
SCHEMBL26211721 0.81 OPRM1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL13175341 0.81 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL24694851 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12022865 0.80 ALDH1A1 (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL29690407 0.78 ALDH1A1 (0.34) ALDH1A1CA12CA1CA2CA9
SCHEMBL18811947 0.78 ALDH1A1 (0.37) ALDH1A1TSHRCA12CA1CA2

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-20110294869-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE TRAVERSA THERAPEUTICS, INC. (US) 2011-12-01 US disclosed
EP-2240593-A2 METHYLBUTANOL AS AN ADVANCED BIOFUEL Synthetic Genomics, Inc. (US) 2010-10-20 EP disclosed
WO-2009076480-A2 METHYLBUTANOL AS AN ADVANCED BIOFUEL SYNTHETIC GENOMICS, INC. (US) 2009-06-18 WO 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-20110294869-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL ALDH1A1 4308/4885TSHR 3741/4885TDP1 546/4885

“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.