SCHEMBL20128036

SCHEMBL20128036

C=CC1OC(/C=C\C2OC(C=C)C3C(=O)N(CNC(=N)N)C(=O)C23)C2C(=O)N(CCOC)C(=O)C12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL18117827 0.81 ALDH1A1 (0.41) PKMALDH1A1POLBCTDSP1TDP1
SCHEMBL25857160 0.78 ALDH1A1 (0.31) SMN1; SMN2ALDH1A1
SCHEMBL18120926 0.74 ALDH1A1 (0.44) PKMALDH1A1POLBCTDSP1TDP1
SCHEMBL25857181 0.72 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL19502410 0.68 ALDH1A1 (0.40) PKMALDH1A1POLBCTDSP1TDP1
SCHEMBL18098030 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18120934 0.67 MAPT (0.44) PKMSMN1; SMN2ALDH1A1POLBCTDSP1
SCHEMBL18117828 0.66 ALDH1A1 (0.38) PKMALDH1A1POLBCTDSP1TDP1
SCHEMBL17830121 0.64 SMN1; SMN2 (0.49) PKMSMN1; SMN2ALDH1A1POLBCTDSP1
SCHEMBL19115781 0.63 ALDH1A1 (0.35) PKMALDH1A1POLBCTDSP1TDP1

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-20180125791-A1 POLYMER NANOCAPSULES FOR PROTEIN DELIVERY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-10 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-20180125791-A1 POLYMER NANOCAPSULES FOR PROTEIN DELIVERY HNRNPA1, AUP1, NAP1L1 PKM 2910/4885SMN1; SMN2 1031/4885ALDH1A1 3490/4885

“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.