SCHEMBL4406689

SCHEMBL4406689

CCn1nnnc1CC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.31
SLC9A1 P19634 1/20 0.31
SOS1 Q07889 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 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
SCHEMBL4403800 0.83 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMEN1SLC9A1
SCHEMBL4405008 0.83 LMNA (0.33) ALDH1A1KMT2ALMNAFAAH
SCHEMBL4406692 0.80 KMT2A (0.40) ALDH1A1KMT2ALMNAMEN1TSHR
SCHEMBL4408150 0.80 ALDH1A1 (0.39) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL2056129 0.79
SCHEMBL4409239 0.79 SLC9A1 (0.39) KMT2ALMNAMEN1SLC9A1
SCHEMBL4407077 0.78 CNR2 (0.49) ALDH1A1KMT2ALMNAMEN1
SCHEMBL4405900 0.77 SLC9A1 (0.41) KMT2AMEN1SLC9A1
SCHEMBL14727991 0.76
SCHEMBL13327698 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS INC (US) 2015-07-23 US disclosed
US-8962580-B2 Chemical modifications of monomers and oligonucleotides with cycloaddition ALNYLAM PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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 (3 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-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 ALDH1A1 848/4885KMT2A 632/4885LMNA 4253/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 ALDH1A1 617/4885KMT2A 1948/4885LMNA 3803/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 ALDH1A1 2036/4885KMT2A 2336/4885LMNA 4159/4885

“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.