SCHEMBL15085198

SCHEMBL15085198

NCCOCCOCCNC(=O)CCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CA2 P00918 6/20 0.38
▸ CA12 O43570 5/20 0.38
▸ CA4 P22748 5/20 0.38
▸ CA9 Q16790 5/20 0.38
▸ CA14 Q9ULX7 5/20 0.38
▸ CA3 P07451 2/20 0.38
▸ CA5A P35218 2/20 0.38
▸ CA5B Q9Y2D0 2/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA1 P00915 4/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ PLK1 P53350 2/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL23569029 0.92 ALDH1A1 (0.43) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL15188737 0.92 SMN1; SMN2 (0.48) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL15084869 0.92 CA12 (0.45) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL27202278 0.91 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL12116757 0.91 SMN1; SMN2 (0.50) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL12833035 0.89 SMN1; SMN2 (0.52) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL23148226 0.87 SMN1; SMN2 (0.50) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL14575431 0.87 CA2 (0.44) SMN1; SMN2MEN1KMT2ACA2CA12
SCHEMBL20904578 0.87 CA2 (0.44) SMN1; SMN2MEN1KMT2ACA2CA12
SCHEMBL14197469 0.87 CA2 (0.44) SMN1; SMN2MEN1KMT2ACA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130171240-A1 DRUG CARRIER AND DRUG CARRIER KIT FOR INHIBITING FIBROSIS NITTO DENKO CORPORATION (JP) 2013-07-04 — — 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-20130171240-A1 DRUG CARRIER AND DRUG CARRIER KIT FOR INHIBITING FIBROSIS KIT, STRA6, HAVCR2 ALDH1A1 241/4885POLB 4428/4885SMN1; SMN2 3264/4885

“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.

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