SCHEMBL2724285

SCHEMBL2724285

CC1CCCC(C)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA9 Q16790 1/20 0.44
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
MMP3 P08254 1/20 0.33
LMNA P02545 4/20 0.32
ESR2 Q92731 3/20 0.32
NR1I2 O75469 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
MKNK2 Q9HBH9 1/20 0.31
ESR1 P03372 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
SCHEMBL7592991 0.85
SCHEMBL576472 0.85
SCHEMBL2080428 0.77 CA1 (0.41) CA1CA9SMN1; SMN2KMT2AMEN1
SCHEMBL19460543 0.74 CA1 (0.39) CA1CA9SMN1; SMN2KMT2AMEN1
SCHEMBL5685516 0.74 CA1 (0.34) CA1CA9CA2CA4SMN1; SMN2
SCHEMBL20582783 0.74 CA1 (0.39) CA1CA9SMN1; SMN2KMT2AMEN1
SCHEMBL10593232 0.74 CA1 (0.34) CA1CA9CA2CA4KMT2A
SCHEMBL13515396 0.72
SCHEMBL5936327 0.72
SCHEMBL5936338 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345954-B1 POLYROTAXANE, PRODUCTION METHOD THEREFOR, AND OPTICAL COMPOSITION CONTAINING SAID POLYROTAXANE TOKUYAMA CORP (JP) 2023-07-05 EP disclosed
US-11578174-B2 Polyrotaxane, production method therefor, and optical composition containing said polyrotaxane TOKUYAMA CORPORATION (JP) 2023-02-14 US disclosed
US-20200071467-A1 Polyrotaxane, Production Method Therefor, and Optical Composition Containing said Polyrotaxane TOKUYAMA CORPORATION (JP) 2020-03-05 US disclosed
US-20180312643-A1 Polyrotaxane, Production Method Therefor, and Optical Composition Containing said Polyrotaxane TOKUYAMA CORPORATION (JP) 2018-11-01 US disclosed
EP-3345954-A1 POLYROTAXANE, PRODUCTION METHOD THEREFOR, AND OPTICAL COMPOSITION CONTAINING SAID POLYROTAXANE Tokuyama Corporation (JP) 2018-07-11 EP disclosed
US-20160058882-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES IMMUNOGEN, INC. 2016-03-03 US disclosed
US-20160058882-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES IMMUNOGEN, INC. 2016-03-03 US disclosed
US-9090629-B2 Cytotoxic agents comprising new ansamitocin derivatives IMMUNOGEN, INC. (US) 2015-07-28 US disclosed
US-9090629-B2 Cytotoxic agents comprising new ansamitocin derivatives IMMUNOGEN, INC. (US) 2015-07-28 US disclosed
EP-2792372-A1 BIODEGRADABLE MEDICAL ADHESIVE AND PREPARATION METHOD AND USE THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2014-10-22 EP disclosed
US-20130323268-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES IMMUNOGEN, INC. (US) 2013-12-05 US disclosed
EP-2635301-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES ImmunoGen, Inc. (US) 2013-09-11 EP disclosed
WO-2012061590-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES IMMUNOGEN, INC. (US) 2012-05-10 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 (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-20130323268-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES MLNR, ANXA6, ANXA4 CA1 1865/4885CA9 2169/4885CA2 2984/4885
US-20160058882-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES MLNR, ANXA6, ANXA4 CA1 1865/4885CA9 2169/4885CA2 2984/4885

“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.