SCHEMBL8395382

SCHEMBL8395382

COC(=O)CCN(C(C)C)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
TSHR P16473 4/20 0.52
CA12 O43570 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM5A P29375 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SLC1A1 P43005 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
SCHEMBL22571783 0.88 KMT2A (0.48) KMT2AMEN1TSHRCA12CA14
SCHEMBL19085521 0.87 TSHR (0.56) KMT2AMEN1TSHRCA12CA14
SCHEMBL9494792 0.84 KMT2A (0.54) KMT2AMEN1TSHRCA12CA14
SCHEMBL17232315 0.82 KMT2A (0.56) KMT2AMEN1TSHRCA12CA14
SCHEMBL5595576 0.80 KMT2A (0.59) KMT2AMEN1TSHRCA12CA14
SCHEMBL17036649 0.78 KMT2A (0.52) KMT2AMEN1TSHRCA12CA14
Hydrochloric Acid SCHEMBL5595816 0.78 KMT2A (0.63) KMT2AMEN1TSHRCA12CA14
SCHEMBL7333667 0.78 CYP1A2 (0.45) KMT2AMEN1TSHRCA12CA9
SCHEMBL27709776 0.78 MEN1 (0.39) KMT2AMEN1LMNA
SCHEMBL27876066 0.77 CYP2D6 (0.37) KMT2AMEN1CA12CA14CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174679-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-06-08 US disclosed
US-20230174679-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-06-08 US disclosed
US-11421044-B2 Nitric oxide-releasing antibacterial polymers and scaffolds fabricated therefrom and methods pertaining thereto THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-08-23 US disclosed
EP-3804725-A2 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY Rhode Island Hospital (US) 2021-04-14 EP disclosed
US-20200332061-A1 NITRIC OXIDE-RELEASING HYPERBRANCHED COMPOUNDS AS ANTIBACTERIAL SCAFFOLDS AND METHODS PERTAINING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2020-10-22 US disclosed
US-20200216571-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2020-07-09 US disclosed
EP-0748310-B1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 1999-06-02 EP disclosed
US-5827881-A ADMINISTERING FOR TREATMENT OF VIRAL DISEASES OR AS ANTIINFLAMMATORY AGENTS ITALFARMACO S.P.A. (IT) 1998-10-27 US disclosed
EP-0748310-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.p.A. (IT) 1996-12-18 EP disclosed
WO-1995023128-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.P.A. (IT) 1995-08-31 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 (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-20230174679-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO NOS2, NOS3, NOS1 KMT2A 3319/4885MEN1 4453/4885TSHR 3825/4885
US-20200216571-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO NOS2, NOS3, NOS1 KMT2A 3319/4885MEN1 4453/4885TSHR 3825/4885
US-20200332061-A1 NITRIC OXIDE-RELEASING HYPERBRANCHED COMPOUNDS AS ANTIBACTERIAL SCAFFOLDS AND METHODS PERTAINING THERETO NOS2, NOS1, NOS3 KMT2A 2607/4885MEN1 3920/4885TSHR 3997/4885
US-11421044-B2 Nitric oxide-releasing antibacterial polymers and scaffolds fabricated therefrom and methods pertaining thereto NOS2, NOS3, NOS1 KMT2A 3319/4885MEN1 4453/4885TSHR 3825/4885

“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.