SCHEMBL16449757

SCHEMBL16449757

C=C1CC(C(C)C)C(=O)N1C(C)C

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 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
SCHEMBL4461827 0.79 MAPT (0.41) ALDH1A1GAAMAPTALOX12
SCHEMBL22685220 0.79
SCHEMBL19647079 0.78 PIK3CD (0.32) ALDH1A1GAAMAPT
SCHEMBL20650777 0.78
SCHEMBL20590114 0.76
SCHEMBL21335340 0.76
SCHEMBL20215057 0.74
SCHEMBL24966963 0.72 MAPT (0.33) ALDH1A1GAAMAPTALOX12
SCHEMBL22726120 0.72 MME (0.49)
SCHEMBL17760920 0.72 LMNA (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732038-B2 Conjugates comprising cell-binding agents and cytotoxic agents IMMUNOGEN, INC. (US) 2023-08-22 US disclosed
US-9745335-B2 N-substituted second generation derivatives of antifungal antibiotic amphotericin B and methods of their preparation and application BLIRT S.A. (PL) 2017-08-29 US disclosed
US-20170097353-A1 Polymer Viral Compositions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-06 US disclosed
US-9447136-B2 Semisynthetic derivatives of Nystatin A1 BLIRT S.A. (PL) 2016-09-20 US disclosed
US-20150291648-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION BLIRT S.A. (PL) 2015-10-15 US disclosed
US-20150045316-A1 SEMISYNTHETIC DERIVATIVES OF NYSTATIN A1 BLIRT S.A. (PL) 2015-02-12 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 (4 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-20170097353-A1 Polymer Viral Compositions PICALM, POLI, PCBP1 ALDH1A1 4730/4885GAA 2285/4885MAPT 1189/4885
US-20150045316-A1 SEMISYNTHETIC DERIVATIVES OF NYSTATIN A1 NPC1, NPC1L1, LSS ALDH1A1 3940/4885GAA 193/4885MAPT 856/4885
US-11732038-B2 Conjugates comprising cell-binding agents and cytotoxic agents PCNA, EPCAM, MKI67 ALDH1A1 96/4885GAA 255/4885MAPT 4737/4885
US-20150291648-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION ERG28, LSS, NPC1 ALDH1A1 4308/4885GAA 194/4885MAPT 1604/4885

“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.