SCHEMBL19688710

SCHEMBL19688710

CC(C)CCOP1(=O)OCCO1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL15458797 0.92 ALDH1A1 (0.33) ALDH1A1
SCHEMBL19970559 0.85 LMNA (0.31)
SCHEMBL24352603 0.79
SCHEMBL14137646 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8734722 0.76
SCHEMBL14407185 0.74
SCHEMBL27537954 0.71
SCHEMBL14137643 0.71
SCHEMBL9057874 0.71 CHRM2 (0.33)
SCHEMBL24352619 0.70

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-10010627-B2 Modified polycationic polymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-07-03 US disclosed
US-20170348432-A1 MODIFIED POLYCATIONIC POLYMERS INTERNATIONAL BUSINESS MACHINES 2017-12-07 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-20170348432-A1 MODIFIED POLYCATIONIC POLYMERS PBRM1, POLI, THEM6 ALDH1A1 1175/4885
US-10010627-B2 Modified polycationic polymers PBRM1, POLI, THEM6 ALDH1A1 1175/4885

“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.