SCHEMBL21755741

SCHEMBL21755741

CCCC(CC)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.49
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL27803762 0.92 SIGMAR1 (0.52) SIGMAR1POLBKDM4ECYP3A4MAPT
Hydrochloric Acid SCHEMBL10756071 0.90 SIGMAR1 (0.50) SIGMAR1POLBKDM4ECYP3A4MAPT
SCHEMBL27919298 0.89 SIGMAR1 (0.46) SIGMAR1POLB
SCHEMBL9063683 0.88 SIGMAR1 (0.55) SIGMAR1POLBKDM4ECYP3A4MAPT
SCHEMBL20794423 0.86 TLR2 (0.49) SIGMAR1
SCHEMBL18844905 0.86 TLR2 (0.49) SIGMAR1
SCHEMBL1851333 0.85 SIGMAR1 (0.46) SIGMAR1POLBCYP3A4ALDH1A1THRB
SCHEMBL18741367 0.85 SIGMAR1 (0.50) SIGMAR1POLBKMT2AMEN1
SCHEMBL26180478 0.85 SIGMAR1 (0.46) SIGMAR1POLBKDM4ECYP3A4MAPT
SCHEMBL12138912 0.85 SIGMAR1 (0.46) SIGMAR1POLBCYP3A4ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same DREXEL UNIVERSITY 2020-02-27 US disclosed
CN-103298772-B Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2015-06-24 CN disclosed
CN-103298772-A Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2013-09-11 CN disclosed
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 CN disclosed
CN-1181690-A Herbicidal aza bisphosphonic acids and compsns. containing the same ZENECA LTD (GB) 1998-05-13 CN 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-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same CX3CR1, CCR5, CXCR3 SIGMAR1 355/4885POLB 4422/4885KDM4E 3398/4885

“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.